Lista de publicaciones (1959 - 2012)

Año 1959 (5 artículos)

0001 R. Jacquier, J. Elguero, Bull. Soc. Chim. Fr. , ---- 294-294 (1959) Recherches sur les ∆2-pyrazolines.

0002 R. Jacquier, J. Elguero, Bull. Soc. Chim. Fr. , ---- 474-474 (1959) Action du fluoro-1 dinitro-2,4 benzène sur quelques pyrazoles et azines.

0003 R. Jacquier, J. Elguero, Bull. Soc. Chim. Fr. , ---- 1446-1446 (1959) Action de la dinitro-2,4 phénylhydrazine sur les β-cétoaldehydes (I).

0004 R. Jacquier, J. Elguero, Bull. Soc. Chim. Fr. , ---- 1446-1446 (1959) Action de la dinitro-2,4 phénylhydrazine sur les β-cétoaldehydes (II).

0005 R. Jacquier, J. Elguero, Bull. Soc. Chim. Fr. , ---- 1446-1446 (1959) Action de la dinitro-2,4 phénylhydrazine sur les β-cétoaldehydes (III).

Año 1960 (2 artículos)

0006 R. Jacquier, J. Elguero, Bull. Soc. Chim. Fr. , ---- 787-788 (1960) Formation et isomérisation de ∆2-pyrazolines.

0007 R. Jacquier, J. Elguero, Bull. Soc. Chim. Fr. , ---- 1037-1037 (1960) Action de quelques hydrazines sur la diméthoxy-4,4 butanone-2 (I).

Año 1961 (3 artículos)

0008 R. Jacquier, J. Elguero, Bull. Soc. Chim. Fr. , ---- 199-199 (1961) Action de quelques hydrazines sur la diméthoxy-4,4 butanone-2 (II).

0009 R. Jacquier, J. Elguero, L. Bardou Bull. Soc. Chim. Fr. , ---- 199-199 (1961) Recherches dans la série du tétrahydro-4,5,6,7 indazole.

0010 E. Arnal, J. Elguero, R. Jacquier et al. Bull. Soc. Chim. Fr. , ---- 1710-1710 (1961) Etude des diazoles par les spectres de resonance magnetique nucleaire - Résultats préliminaires.

Año 1962 (5 artículos)

0010 J. Elguero. Angew. Chem. Int. Ed. ---- 590-590 (1962) Bromierung und Isomerisierung von 2-Pyrazolinen.

0012 J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 233-233 (1962) Recherches dans la serie du pyrazole. I.

0013 J. Elguero, G. Guiraud, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 233-233 (1962) Recherches dans la serie du pyrazole. II.

1 0014 J. Elguero, G. Guiraud, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 1267-1267 (1962) Recherches dans la serie du pyrazole. III.

0015 J. Elguero, Bull. Soc. Chim. Fr. , ---- 1267-1267 (1962) Bromation et isomérisation des pyrazolines-2.

Año 1963 (2 artículos)

0016 D. H. Cung, J. Elguero, E. Gonzalez, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 1133-1133 (1963) Étude de la basicité de pyrazoles substitués. 2.

0017 J. Elguero, R. Jacquier, C. R. Acad. Sci. , 256 720-722 (1963) Bromation des pyrazolines-2.

Año 1964 (7 artículos)

0018 J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 1180-1180 (1964) Action des halogenures aromatiques sur l'indole. I. Spectres IR + UV.

0019 E. Arnal, J. Elguero, R. Jacquier et al . Bull. Soc. Chim. Fr. , ---- 1181-1181 (1964) Action des halogenures aromatiques sur l'indole. II. Spectres RMN.

0020 P. Bouchet, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 2734-2734 (1964) Réactivité des pyrazolines-2.

0021 J. Elguero, E. Gonzalez, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 2744-2744 (1964) Etude de la basicité de pyrazoles substitués. III.

0022 J. Elguero, R. Jacquier, G. Tarrago, J. Chim. Phys. , 61 616-618 (1964) Structure des pyrazolones.

0023 J. Elguero, J. L. Imbach, R. Jacquier, J. Chim. Phys. , 61 987-988 (1964) Spectres de Résonance Magnétique Nucléaire de diazoles N-substitués.

0024 P. Bouchet, J. Elguero, R. Jacquier, Tetrahedron Lett. , ---- 3317-3322 (1964) Réactivité des pyrazolines-2.

Año 1965 (20 artículos)

0025 J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr. , ---- 574-574 (1965) Structure des pyrazolones-5.

0026 J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr. , ---- 574-574 (1965) Structure des pyrazolones. II.

0027 J. Elguero, A. Fruchier, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 579-579 (1965) Étude de la basicité de pyrazoles substitués. IV.

2 0028 E. Arnal, J. Elguero, R. Jacquier, C. Marzin, Bull. Soc. Chim. Fr. , ---- 581-581 (1965) Étude RMN d'azines.

0029 J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 769-778 (1965) Récherches dans la série des azoles. I. Préparation et prototropie des pyrazolines-2.

0030 E. Arnal, J. Elguero, R. Jacquier, C. Marzin, J. Wilde, Bull. Soc. Chim. Fr ., ---- 877-878 (1965) Étude RMN d’azines.

0031 J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 2437-2437 (1965) Étude RMN de N-carboxamidopyrazoles.

0032 J. Elguero, R. Jacquier, H. C. N. Tien Duc, Bull. Soc. Chim. Fr. , ---- 2439-2439 (1965) Recherches dans la série des azoles: Bromation de la diméthyl-1,5 pyrazoline.

0033 J. L. Aubagnac, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 2702-2702 (1965) Synthèse et protonation de pyrazolines-3.

0034 J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 2702-2702 (1965) Protonation des pyrazolines-2.

0035 J. Elguero, R. Jacquier, H. C. N. Tien Duc, Bull. Soc. Chim. Fr. , ---- 2702-2702 (1965) Bromation d'acides pyrazolecarboxyliques.

0036 J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr ., ---- 2961-2962 (1965) Recherches dans la série des azoles: Sur le produit de condensation du chlorhydrate de triméthyl-3,5,5 pyrazoline et de l’acétone.

0037 J. Elguero, R. Jacquier, C. R. Acad. Sci ., 260 609-609 (1965) Recherches dans la série des azoles: N-Carboxamidopyrazoles.

0038 J. Elguero, R. Jacquier, C. Marzin, C. R. Acad. Sci ., 261 1343-1346 (1965) Recherches dans la série des azoles: Etude de la diméthyl-4,4 isopropyl-5 pyrazoline-2.

0039 J. Elguero, J.-L. Imbach, R. Jacquier, J. Chim. Phys. , 62 643-645 (1965) Recherches dans la série des azoles. Spectres RMN de diazoles N-Substitués.

0040 J. Elguero, E. Gonzalez, R. Jacquier, J. Chim. Phys. , 62 924-924 (1965) Étude de la basicité de pyrazolines-2.

0041 J. Elguero, R. Jacquier, J. Chim. Phys. , 62 1239-1239 (1965) Sur l'identification par IR des groupes immonium.

0042 J.-L. Aubagnac, J. Elguero, R. Jacquier, Tetrahedron Lett. , ---- 1171-1174 (1965) Recherches dans la série des azoles. Synthèse et protonation de pyrazolines-3.

0043 J. Elguero, R. Jacquier,

3 Tetrahedron Lett. , ---- 1175-1179 (1965) Recherches dans la série des azoles. Protonation des pyrazolines-2.

0044 J. Elguero, R. Jacquier, G. Tarrago, Tetrahedron Lett. , ---- 4719-4725 (1965) Sites de protonation et basicité des énamines tertiaires. Errata: p. 1112 (1966).

Año 1966 (23 artículos)

0045 J. Elguero, R. Jacquier, G. Tarrago, H. C. N. Tien Duc, Bull. Soc. Chim. Fr. , ---- 293-302 (1966) Recherches dans la série des azoles. II. Etude des diméthyl-1,3 et -1,5-pyrazoles et de leur dérivés bromés.

0043 J. Elguero, A. Fruchier, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 492-492 (1966) Étude RMN dans la série de l'indazole.

0044 J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 610-617 (1966) Recherches dans la série des azoles. III. Alkylation et halogénation des pyrazolines-2.

0048 J. Elguero, R. Jacquier, C. Marzin, H. C. N. Tien Duc, Bull. Soc. Chim. Fr. , ---- 618-619 (1966) Recherches dans la série des azoles: Sur quelques N-arylpyrazolines-2.

0049 J. Elguero, G. Guiraud, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 619-624 (1966) Recherches dans la série des azoles. IV. Carbéthoxy-3(5) pyrazoles et leurs dérivés.

0050 J. Elguero, G. Guiraud, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr. , ---- 775-776 (1966) Recherches dans la série des azoles. Action du fluoro-1 dinitro-2,4 -benzène sur les pyrazolones-5.

0051 G. Guiraud, J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr. , ---- 1176-1176 (1966) Réaction de bromation anormale en série pyrazolique.

0052 J. L. Barascut, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 1530-1530 (1966) Recherches dans la série des azoles. Structure des amino-3 pyrazolines.

0053 J. Elguero, A. Fruchier, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 2075-2084 (1966) Recherches dans la série des azoles. V. Etude RMN dans la série de l’indazole.

0054 J. Elguero, R. Jacquier, C. Marzin, Bull. Soc. Chim. Fr. , ---- 2132-2132 (1966) Étude de la configuration d'azines par RMN.

0055 P. Bouchet, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 2712-2712 (1966) Protonation et quaternisation des phényl-1 pyrazolines-2.

0056 J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 2832-2845 (1966) Recherches dans la série des azoles. VIII. p-Nitrophenyl-1, dinitro-2,4-phenyl-1 et picryl-1 pyrazoles.

0057 J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr. , ---- 2981-2989 (1966) Structure des produits de copulation du chlorure de phényldiazonium avec les β-dicétones et les β-cétoesters.

0058 J. Elguero, R. Jacquier, G. Tarrago,

4 Bull. Soc. Chim. Fr. , ---- 2990-2995 (1966) Recherches dans la série des azoles. XII. Structure des phénylazo-4-pyrazolones-5.

0059 J. Elguero, A. Fruchier, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 3041-3042 (1966) Recherches dans la série des azoles. Etudes par RMN d’isomérisation et de transacétylations d’acétylindazoles.

0060 J. Elguero, R. Jacquier, H. C. N. Tien Duc, Bull. Soc. Chim. Fr. , ---- 3727-3743 (1966) Recherches dans la série des azoles. XIII. Spectres RMN de pyrazoles.

0061 J. Elguero, R. Jacquier, H. C. N. Tien Duc, Bull. Soc. Chim. Fr. , ---- 3744-3752 (1966) Recherches dans la série des azoles. XVI. Etude UV de pyrazoles.

0062 M. Bertrand, J. Elguero, R. Jacquier, L. Le Gras, C. R. Acad. Sci. , 262C 782-785 (1966) Action des hydrazines substituées sur les cétones alléniques et sur les β-alcoxyvinylcétones.

0063 J.-L. Aubagnac, J. Elguero, R. Jacquier, C. R. Acad. Sci. , 263C 739-742 (1966) Sur quelques spectres de résonance magnétique nucléaire de sels d’amines et d’hydrazines.

0064 J. Elguero, R. Jacquier, H. C. N. Tien Duc, C. R. Acad. Sci. , 263C 1456-1459 (1966) Recherches dans la série des azoles. XV. Bromation des acides et des esters pyrazole-carboxyliques.

0065 J. Elguero, R. Jacquier, J. Chim. Phys. , 63 1242-1246 (1966) Recherches dans la série des azoles. VII. Attribution des signaux RMN de pyrazoles N-substitués.

0066 P. Bouchet, J. Elguero, R. Jacquier, Tetrahedron , 22 2461-2474 (1966) Recherches dans la série des azoles. IV. Réduction de pyrazolones et de pyrazolidones par l’hydrure d’aluminium et de lithium.

0067 P. Bouchet, J. Elguero, R. Jacquier, Tetrahedron Lett. , ---- 6409-6412 (1966) Recherches dans la série des azoles. Protonation et quaternisation d’aryl-1 pyrazolines-2.

Año 1967 (25 artículos)

0068 J. Elguero, R. Jacquier, An. Real Soc. Es. Fis. Quim. , 63B 905-914 (1967) Investigaciones en la serie de los azoles. XXI. Reacción del indol y del carbazol con haluros nitroaromáticos.

0069 L. Bardou, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 289-294 (1967) Recherches dans la série des azoles. XVI. Pyrazoles bicycliques.

0070 L. Bardou, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 297-306 (1967) Recherches dans la série des azoles. XVII. Action de la dinitro-2,4 phénylhydrazine sur les dérivés des hydroxyméthylène-2-cyclanones.

0071 J. Elguero, G. Guiraud, R. Jacquier, H. C. N. Tien Duc, Bull. Soc. Chim. Fr. , ---- 328-332 (1967) Recherches dans la série des azoles. XX. Nouvelles réactions de bromation en série pyrazole. Obtention de bromo-4 pyrazolones.

0071 P. Bouchet, J. Elguero, E. Gonzalez, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 761-761 (1967)

5 Site de protonation et basicité d'aryl-1 pyrazolines-2.

0073 J. Elguero, R. Jacquier, H. C. N. Tien Duc, Bull. Soc. Chim. Fr. , ---- 2617-2618 (1967) Recherches dans la série des azoles. Détermination du mécanisme de l’oxydation des pyrazoles en pyrazolones.

0074 J. Elguero, A. Fruchier, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 2619-2630 (1967) Recherches dans la série des azoles. XXII. Substitution nucléophile des halogénures nitroaromatiques par l’indazole et ses dérivés.

0075 J. Elguero, R. Jacquier, B. Shimizu, Bull. Soc. Chim. Fr. , ---- 2996-2998 (1967) Préparation ameliorée du méthyl-3 pyrrole.

0076 J. Elguero, E. Gonzalez, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 2998-3003 (1967) Recherches dans la série des azoles. XXVI. Etude RMN et reactions avec les halogénonitro-benzènes dans la série du triazole-1,2,3.

0077 J. Elguero, R. Jacquier, C. Marzin, Bull. Soc. Chim. Fr. , ---- 3005-3019 (1967) Stéréochimie des aldazines et cétazines dérivant de composés carbonylés α-éthylèniques.

0078 P. Bouchet, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 3115-3115 (1967) Synthèse, étude RMN et protonation d'aryl-1 pyrazolidones.

0079 P. Bouchet, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 3502-3516 (1967) Recherches dans la série des azoles. XXVII. Synthèse et structure d’aryl-1 pyrazolidones-3 et -5 et de leurs acides conjugués.

0080 J.-L. Aubagnac, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 3516-3526 (1967) Recherches dans la série des azoles. XXVIII. Synthèse et étude des sels de diméthyl-1,2 et diméthyl-1,1- pyrazolinium-2.

0081 J. Elguero, R. Jacquier, D. Tizané, Bull. Soc. Chim. Fr. , ---- 3596-3596 (1967) Synthesis and reduction of pyrazolium cations.

0082 J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr. , ---- 3772-3779 (1967) Recherches dans la série des azoles. XXIX. Structures des pyrazolones en solution: Considérations générales et produits à structure fixe.

0083 J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr. , ---- 3780-3794 (1967) Recherches dans la série des azoles. XXX. Structure des pyrazolones en solution: Détermination de l’équilibre et comportement spectral des pyrazolones tautomères.

0084 P. Bouchet, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 4716-4728 (1967) Recherches dans la série des azoles. XXXII. Comportement "énamine" des pyrazolines-2.

0085 J. Berthou, J. Elguero, R. Jacquier, C. Marzin, C. Rérat, C. R. Acad. Sci. , 256C 513-515 (1967) Structure de la dibromo-4,4’ cinnamaldazine.

0086 J. Elguero, R. Wolf,

6 C. R. Acad. Sci. , 265C 1507-1510 (1967) Synthèse et spectres RMN de pyrazoles et indazoles substitués à l’azote par du phosphore.

0087 J. Elguero, E. Gonzalez, R. Jacquier, J. Chim. Phys. , 64 907-907 (1967) Détermination et interprétation del p Ka d'aryl-1 pyrazolines-2.

0088 J.-L. Aubagnac, J. Elguero, R. Jacquier, J. Chim. Phys. , 64 907-907 (1967) Etudes de RMN dans la série des pyrazoliniums-2.

0089 J.-L. Aubagnac, P. Bouchet, J. Elguero, R. Jacquier, C. Marzin, J. Chim. Phys. , 64 1659-1655 (1967) Recherches dans la série des azoles. XXII. Intervention des doublets p des azotés sur les constantes de couplage dans le cycle pyrazoline-2.

0090 J. Elguero, R. Gil, R. Jacquier, Spectrochim. Acta , 23A 383-389 (1967) Sur l’identification par l’infrarouge des groupes immonium.

0091 J.-L. Aubagnac, J. Elguero, R. Jacquier, D. Tizané, Tetrahedron Lett. , ---- 3705-3708 (1967) Recherches dans la série des azoles. Nouvelle méthode de synthèse, étude RMN et UV des pyrazolines-3.

0092 J.-L. Aubagnac, J. Elguero, R. Jacquier, D. Tizané, Tetrahedron Lett. , ---- 3709-3712 (1967) Recherches dans la série des azoles. Protonation et quaternisation des pyrazolines-3.

Año 1968 (14 artículos)

0093 J. Elguero, E. Gonzalez, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 707-713 (1968) Recherches dans la série des azoles. XXXI. Basicité et reactivité de pyrazoles encombrés.

0094 J. Elguero, R. Jacquier, C. Marzin, Bull. Soc. Chim. Fr. , ---- 713-732 (1968) Etude par RMN de la stéréochimie d’aldazines et de cétazines.

0095 J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr. , ---- 1149-1150 (1968) Sur une prétendue forme N-protonée stable d’une énamine.

0096 J. Elguero, R. Jacquier, C. Muratelle, Bull. Soc. Chim. Fr. , ---- 2506-2513 (1968) Recherches dans la série des azoles. XXXIII. Synthèse et réactivité des spiro-5,5 pyrazolines-2.

0097 J. Elguero, A. Fruchier, R. Jacquier, U. Scheidegger, Bull. Soc. Chim. Fr. , ---- 3331-3332 (1968) Sur la formation de N-oxydes de benzotriazoles par addition dipolaire d’halogénures ortho -nitroaromatiques sur les indazoles.

0098 J. Elguero, R. Jacquier, D. Tizané, Bull. Soc. Chim. Fr. , ---- 3866-3868 (1968) Recherches dans la série des azoles. Synthèse de pyrazolines-2-pentasubstituées-1,3,4,4,5 par réduction d’isopyrazoliums.

0099 J.-L. Aubagnac, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 3869-3870 (1968) Recherches dans la série des azoles. Synthèse et proprietés physico-chimiques de sels de pyrazoliniums-2 bicycliques et spiraniques.

0100 C. Dittli, J. Elguero, R. Jacquier,

7 Bull. Soc. Chim. Fr. , ---- 4208-4209 (1968) Préparation d’acétals dérivant des dihalogéno-1,3 propanones.

0101 J. Elguero, A. Fruchier, R. Gil, Bull. Soc. Chim. Fr. , ---- 4403-4409 (1968) Calcul simplifié de l’effet produit par le remplacement d’un proton par un méthyle sur les deplacements chimiques des autres protons.

0102 J. Elguero, E. Gonzalez, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 5009-5017 (1968) Recherches dans la série des azoles. XXXV. Relations basicité-structure dans la série du pyrazole.

0103 J. Elguero, E. Gonzalez, J.-L. Imbach, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 5017-5019 (1968) Recherches dans la série des azoles. XXXVI. Basicité de N-aryl-imidazoles.

0104 J. Elguero, G. Guiraud, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr. , ---- 5019-5029 (1968) Recherches dans la série des azoles. XXXVII. Synthèse et réactivité des (dinitro-2’,4’ phényl)-1-pyrazolones- 5.

0105 J. Elguero, R. Rivière-Baudet, J. Satgé, C.R. Acad. Sci. , 266C 44-47 (1968) Synthèse et étude RMN de pyrazoles et indazoles substitués à l’azote par du germanium et du silicium.

0106 J. Elguero, A. Fruchier, J. Chim. Phys. , 65 589-589 (1968) NMR of 2-pyrazolines. Chemical displacements of protons from positions 4 and 5.

Año 1969 (24 artículos)

0107 J. Elguero, R. Jacquier, C. Marzin, Bull. Soc. Chim. Fr. , ---- 1367-1374 (1969) Synthèse d’azines dérivant de composés carbonylés α-éthyléniques p-bromophenylés.

0108 J. Elguero, R. Jacquier, C. Marzin, Bull. Soc. Chim. Fr. , ---- 1374-1378 (1969) Etude de la stéréochimie des aldazines: présence d’isomères encombrés dans le spectre RMN des liquides purs.

0109 J. Elguero, R. Jacquier, S. Mondon, Bull. Soc. Chim. Fr. , ---- 1683-1686 (1969) Recherches dans la série des azoles. XXXVIII. Réactivité des bromo-3 pyrazolines-2.

0110 J. Elguero, R. Jacquier, D. Tizané, Bull. Soc. Chim. Fr. , ---- 1687-1698 (1969) Recherches dans la série des azoles. XXXIX. Synthèse et spectres de RMN des ions pyrazolium.

0111 J. Elguero, E. Gonzalez, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 2054-2061 (1969) Recherches dans la série des azoles. XL. Relations basicité-structure dans la série des pyrazolines-2. 1re Partie: Pyrazolines non N-substituées et N-methylées.

0112 G. Coispeau, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 2061-2063 (1969) Recherches dans la série des azoles. XLI. Esters pyrazole dicarboxyliques et pyrazolo[3,4-d] pyridazines.

0113 J. Elguero, A. Fruchier, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 2064-2076 (1969) Recherches dans la série des azoles. XLII. Utilisation de la RMN pour l’identification des dérivés N-substitués de l’indazole.

0014 J. Elguero, R. Jacquier, B. Shimizu,

8 Bull. Soc. Chim. Fr. , ---- 2823-2826 (1969) Recherches dans la série des azoles. XLV. Synthèse de l’isovaleryl-2 méthyl-3 pyrrole.

0015 J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr. , ---- 2876-2878 (1969) Recherches dans la série des azoles. XLIV. Synthèse de nouveaux hétérocycles azotés: Dihydro-4,5 pyrazolo[1,5-a]quinoléine et pyrazolo[1,5-a]quinoléine. Note de Laboratoire.

0116 J.-L. Aubagnac, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. , ---- 3292-3299 (1969) Recherches dans la série des azoles. L. Mécanisme de la réaction des hydrazines 1,2-disubstitués avec les composés α-éthylèniques. Formation de sels de pyrazolinium-2.

0117 J.-L. Aubagnac, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. ---- 3300-3302 (1969) Recherches dans la série des azoles. LI. Mécanisme de la réaction de Hinman (formation de sels de pyrazolinium-2 par condensation des hydrazines disubstituées-1,2.avec le formol et un composé carbonylé).

0118 J.-L. Aubagnac, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. ---- 3302-3306 (1969) Recherches dans la série des azoles. LII. Etude de la réactivité des pyrazolinium-2 disubstituées-1,2.

0119 J.-L. Aubagnac, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. ---- 3306-3316 (1969) Recherches dans la série des azoles. LIII. Action des bases sur les sels de diméthyl-1,2 pyrazoliniums-2: Formation de pyrazolines-3.

0120 J.-L. Aubagnac, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr ., ---- 3316-3326 (1969) Recherches dans la série des azoles. LIV. Réactivité et propriétés physico-chimiques des pyrazolines-3.

0121 J. Elguero, E. Gonzalez, J.-L. Imbach, R. Jacquier, Bull. Soc. Chim. Fr ., ---- 4075-4077 (1969) Recherches dans la série des azoles. LXII. Sur la basicité de quelques imidazolines-2, oxazolines-2 et thiazolines-2 substituées en position 2.

0122 J. P. Chapelle, J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr ., ---- 4464-4466 (1969) Préparation de N-méthyl pyrroles à partir de N-méthylhydrazones.

0123 C. Dittli, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr ., ---- 4466-4469 (1969) Recherches dans la série des azoles. LV. Etude de la réduction par l’hydrure d’aluminium et de lithium de dérivés de l’antipyrine: 1ere Partie: Thiopyrine.

0124 C. Dittli, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr ., ---- 4469-4473 (1969) Recherches dans la série des azoles. LVI. Etude de la réduction par l’hydrure d’aluminium et de lithium de dérivés de l’antipyrine: 2eme Partie: Pyramidon.

0125 C. Dittli, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr ., ---- 4474-4476 (1969) Recherches dans la série des azoles. LVII. Etude de la réduction par l’hydrure d’aluminium et de lithium de dérivés de l’antipyrine: 3eme Partie: Thiopyramidon.

0126 R. Jacquier, J.-P. Chapelle, J. Elguero, G. Tarrago, Chem. Commun ., ---- 752-752 (1969) 3 Condensation of 1,2-Dimethylhydrazine with some Ketones: Formation of ∆ -Pyrazolines and N-Alkylated Pyrroles.

0127 P. Bouchet, J. Elguero, R. Jacquier, F. Forissier, C. R. Acad. Sci ., 269C 570-572 (1969)

9 Recherches dans la série des azoles. Halogénation de pyrazoles substitués en position 4.

0128 M.-L. Roumestant, P. Viallefont, J. Elguero, R. Jacquier, Tetrahedron Lett ., ---- 495-498 (1969) Recherches dans la série des azoles. XLIII. Etude par RMN de la tautomérie des azoles.

0129 J. Elguero, C. Marzin, D. Tizané, Tetrahedron Lett. ---- 513-514 (1969) Démonstration par RMN de l’existence d’azotes asymétriques dans un cycle pentagonal: Cas des diméthyl-1,2- pyrazolidines ("Etudes par RMN en série hétérocyclique. II").

0130 J. Elguero, C. Marzin, D. Tizané, Org. Magn. Reson. 1 249-275 (1969) Etudes par RMN en série hétérocyclique. III. Non-équivalence magnétique et inversion de l’azote dans une série d’hétérocycles pentagonaux diazotés, pyrazolines-2 et -3, pyrazolidines et pyrazolidones.

Año 1970 (28 artículos)

0131 J. Elguero, A. Fruchier, R. Jacquier, An. Asoc. Quím. Argent. 58 307-312 (1970) Estudios RMN en la serie heterocíclica. V. Conformación de N-arilbenzazoles.

0132 J. Elguero, R. Gélin, S. Gélin, G. Tarrago, Bull. Soc. Chim. Fr ., ---- 231-239 (1970) Recherches dans la série des azoles. XLVII. Action des hydrazines sur les β-dicétones ethyléniques: Synthèse d’alcénylpyrazoles.

0133 J.-P. Chapelle, J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr ., ---- 240-246 (1970) Recherches dans la série des azoles. XLVIII. Action de l’hydrazobenzène et de la méthyl-1 phényl-2 hydrazine sur les composés carbonylés: Formation d’indoles et de pyrazolines-3.

0134 J. Elguero, A. Fruchier, Bull. Soc. Chim. Fr ., ---- 496-497 (1970) Etude RMN de l’effet longue distance de l’anisotropie magnétique du groupement méthyle en libre rotation.

0135 G. Coispeau, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr ., ---- 689-696 (1970) Recherches dans la série des azoles. LXIII. Action des hydrazines mono et disubstituées-1,2 sur les composés carbonylés α-acétylèniques.

0136 C. Dittli, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr. ---- 696-697 (1970) Recherches dans la série des azoles. LXIV. Condensation d’acétals dérivant de dihalogéno-1,3 propanone avec diverses hydrazines: Préparation d’éthylènedioxy-4,4 pyrazolidines.

0137 J. Elguero, R. Jacquier, D. Tizané, Bull. Soc. Chim. Fr. ---- 1121-1129 (1970) Recherches dans la série des azoles. LVIII. Etude de la réduction des ions pyrazolium et des pyrazolines-3 par l’hydrure d’aluminium et de lithium. 1ere Partie. Mécanisme.

0138 J. Elguero, R. Jacquier, D. Tizané, Bull. Soc. Chim. Fr. ---- 1129-1139 (1970) Recherches dans la série des azoles. LIX. Etude de la réduction des ions pyrazolium et des pyrazolines-3 par l’hydrure d’aluminium et de lithium. 2ème Partie: Spectres UV et RMN des pyrazolines-3.

0139 J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr. ---- 1345-1346 (1970) Etudes par RMN en série hétérocyclique. Détermination de l’effet produit par l’atome d’azote sur les protons ortho des phényl-1 pyrazoles.

0140 J. Elguero, R. Jacquier, S. Mondon,

10 Bull. Soc. Chim. Fr. ---- 1346-1351 (1970) Etudes par RMN en série hétérocyclique. IV. Conformation de N-arylazoles: Influence des atomes d’azote sp 2 sur le déblindage des protons ortho du noyau voisin.

0141 J.-L. Barascut, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr ., ---- 1571-1576 (1970) Recherches dans la série des azoles. LXV. Etude de la tautomérie des aminopyrazolines. 1re Partie: Considération générales et synthèse de produits à structure fixe. Tautomérie des amino-5 pyrazolines.

0142 J. Elguero, R. Jacquier, S. Mondon, Bull. Soc. Chim. Fr ., ---- 1576-1581 (1970) Recherches dans la série des azoles. LXVI. Etude de la tautomérie des aminopyrazolines. 2ème Partie. Synthèse de produits à structure partiellement bloquée: Dialcoylamino-3 pyrazolines.

0143 G. Coispeau, J. Elguero, R. Jacquier, D. Tizané, Bull. Soc. Chim. Fr ., ---- 1581-1585 (1970) Recherches dans la série des azoles. LXVII. Mécanisme de la réaction des composés carbonylés α- éthyléniques avec les hydrazines: Stéréochimie des positions 4 et 5 des pyrazolines-2 et pyrazoliniums-2 obtenus.

0144 J. Elguero, R. Jacquier, B. Shimizu, Bull. Soc. Chim. Fr ., ---- 1585-1590 (1970) Recherches dans la série des azoles. LXVIII. Essai d’obtention d’acyl-3-pyrroles: synthèse d'acyl-3 pyrrolidinones-4.

0145 J. Elguero, R. Jacquier, D. Tizané, Bull. Soc. Chim. Fr ., ---- 1936-1938 (1970) Recherches dans la série des azoles. LXX. Réduction de pyrazolidones-3 par AlLiH 4: Conservation de la stéréochimie de la position 4 et origine de l’oxygène de l’hydroxy-3 pyrazolidine de réduction.

0146 J. Elguero, R. Jacquier, V. Pellegrin, V. Tabacik, Bull. Soc. Chim. Fr ., ---- 1974-1978 (1970) Recherches dans la série des azoles. LXXI. Synthèse de deutériopyrazoles.

0147 J.-P. Rioux, R. Jacquier, C. Clément, G. Tarrago, J. Elguero, Bull. Soc. Chim. Fr ., ---- 2144-2149 (1970) Détermination de la conformation de phényl-1 pyrazoles par Diffusion Rayleigh Dépolarisée. II. Phényl-1 pyrazole et dérivés substitués.

0148 G. Coispeau, J. Elguero, Bull. Soc. Chim. Fr ., ---- 2717-2736 (1970) Mise au point. Réaction des hydrazines avec les composés difonctionnels-1,3. Synthèse de dérivés du pyrazole.

0149 J. Elguero, R. Jacquier, A. Haq, G. Tarrago, Bull. Soc. Chim. Fr ., ---- 3136-3138 (1970) Synthèse de nouveaux hétérocycles azotés. II. Dihydro-4,5 pyrazolo[1,5-a]quinoleine et pyrazolo[1,5- a]quinoleine.

0150 J.-P. Chapelle, J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr ., ---- 1571-1576 (1970) Recherches sur les enehydrazines. II. Action de la triméthylhydrazine sur les cétones: Formation d’enehydrazines et de N,N-dimethylhydrazones.

0151 J.-P. Chapelle, J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr ., ---- 3147-3155 (1970) Recherches sur les ènehydrazines. III. Action de la diméthyl-1,2-hydrazine sur les composés carbonylés: Formation de N-méthylpyrroles et de pyrazolines-3.

0152 J. Elguero, C. Marzin, Bull. Soc. Chim. Fr ., ---- 3466-3473 (1970) Etudes par RMN en série hétérocyclique. IV. Rotation restreinte et stéréochimie dans une série de N-acyl- pyrazolines-2.

11 0153 J. Elguero, R. Jacquier, C. Marzin, Bull. Soc. Chim. Fr ., ---- 4119-4129 (1970) Cyclisation d’aldazines et de cétazines en pyrazolines-2 par l’acide formique.

0154 J. Elguero, R. Jacquier, S. Mignonac-Mondon, Bull. Soc. Chim. Fr ., ---- 4436-4438 (1970) Etudes RMN en série hétérocyclique. VI. Aminopyrazoles.

0155 J.-L. Aubagnac, J. Elguero, R. Jacquier, R. Robert, C.R. Acad. Sci ., 270C 1829-1832 (1970) Etude de la protonation et de la quaternisation des tétrahydro-1,4,5,6 pyridazines.

0156 J. Berthou, J. Elguero, R. Rérat, Acta Crystallogr ., Ser. B 26B 1880-1881 (1970) Affinement de la structure cristalline du pyrazole.

0157 J. Elguero, R. Jacquier, C. Marzin, Tetrahedron Lett ., ---- 3099-3102 (1970) Protonation thermodynamique et reaction acido-catalysées d’azaénamines.

Año 1971 (13 artículos)

0158 J.-P. Chapelle, J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr ., ---- 280-283 (1971) Recherches sur les ènehydrazines. IV. Action de la méthylhydrazine sur les cétones: Formation de N- méthylpyrroles.

0159 J.-P. Chapelle, J. Elguero, R. Jacquier, G. Tarrago, Bull. Soc. Chim. Fr ., ---- 283-286 (1971) Recherches sur les ènehydrazines. V. Addition d’hydrazines substituées sur les ynamines.

0160 C. Dittli, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr ., ---- 1038-1040 (1971) Recherches dans la série des azoles. LXXX. Hydroxy-4 pyrazolidines, pyrazolines et pyrazoles.

0161 J. Elguero, R. Jacquier, B. Shimizu, Bull. Soc. Chim. Fr ., ---- 1497-1499 (1971) Recherches dans la série des azoles. LXXXIII. Synthèse de pyrrolo[3,4-c]pyrazoles.

0162 J. Elguero, Bull. Soc. Chim. Fr ., ---- 1925-1932 (1971) Mise au point. Synthèse et réactivite d’hétérocycles pentagonaux: Réactions électrocycliques et transpositions sigmatropiques.

0163 J.-L. Aubagnac, J. Elguero, R. Jacquier, R. Robert, Bull. Soc. Chim. Fr ., ---- 2184-2185 (1971) Synthèse de benzimidazolines par réduction de sels de benzimidazolium.

0164 J.-L. Aubagnac, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr ., ---- 3758-3760 (1971) Recherches dans la série des azoles. XC. Sur la stéréochimie de quelques pyrazolinium-2, pyrazolidines et hydroxy-3 pyrazolidines.

0165 A.-F. Hegarty, S. Mignonac-Mondon, J. Elguero, Bull. Soc. Chim. Fr ., ---- 4132-4134 (1971) Recherches dans la série des azoles. LXXXVIII. Etude cinétique du mécanisme de bromation de N-aryl pyrazolines.

0166 V. Tabacik, V. Pellegrin, J. Elguero, R. Jacquier, C. Marzin, J. Mol. Struct ., 8 173-193 (1971) Symétrie et configuration de l’acétaldazine. Etude de spectres de vibration et de vibration-rotation.

12 0167 J. Elguero, A. Fruchier, J. Elguero, U. Scheidegger, J. Chim. Phys ., 68 1113-1121 (1971) Etudes par RMN en série hétérocyclique. VII. Analyse des systèmes ABCDX des méthyl-1 et méthyl-2 indazoles.

0168 R. M. Claramunt, J. Elguero, R. Jacquier, Org. Magn. Reson ., 3 595-598 (1971) Etudes RMN en série hétérocyclique. VIII. Effet des dipivalométhanates de nickel(III), cobalt(II), europium(III) et praseodyme(III) sur les déplacements chimiques de quelques dérivés du pyrazole.

0169 J. Elguero, R. Jacquier, D. Tizané, Tetrahedron , 27 123-132 (1971) Recherches dans la série des azoles. LX. Stéréochimie de la C-protonation des pyrazolines-3.

0170 J. Elguero, R. Jacquier, D. Tizané, Tetrahedron , 27 133-142 (1971) Recherches dans la série des azoles. LXI. Mécanisme de la réduction des pyrazolones par l’hydrure d’aluminium et de lithium.

Año 1972 (10 artículos)

0171 P. Bouchet, J. Elguero, R. Jacquier, J. M. Pereillo, Bull. Soc. Chim. Fr ., ---- 2264-2271 (1972) Etude par RMN de la configuration d’hydrazides.

0172 J. Elguero, R. Jacquier, S. Mignonac-Mondon, Bull. Soc. Chim. Fr ., ---- 2807-2813 (1972) Recherches dans la série des azoles. LXXXIX. Synthèse et réduction des sels quaternaires d’aminopyrazoles.

0173 J.-L. Aubagnac, J. Elguero, R. Jacquier, R. Robert, Bull. Soc. Chim. Fr ., ---- 2859-2868 (1972) Etude de la réduction des tetrahydro-2,3,4,5 pyridazinones-3 par l’hydrure d’aluminium et de lithium.

0174 J.-L. Aubagnac, J. Elguero, R. Robert, Bull. Soc. Chim. Fr ., ---- 2868-2879 (1972) Systèmes hétérocycliques a 10 électrons π. I. Recherches sur les diazocines, les pyrrolo[1,2-a] imidazoles et leurs benzologues.

0175 J. Elguero, A. Fruchier, S. Mignonac-Mondon, Bull. Soc. Chim. Fr ., ---- 2916-2923 (1972) Etudes RMN en série hétérocyclique. IX. Dérivés méthylés et dinitro-2,4-phenylés du benzimidazole et de l’imidazo[4,5-b]pyridine.

0176 J. Elguero, R. Jacquier, A. J. H. Summers, Bull. Soc. Chim. Fr ., ---- 3968-3973 (1972) Systèmes aromatiques à 10 electrons π dérivés de l’aza-3a pentalène. I. Synthèse et réactivité de s-triazolo [3,4-b]thiadizoles-[1,3,4], d’imidazo [2,1-b] oxadiazoles-1,3,4 et d’imidazo [1,2-b]pyrazoles.

0177 A. J. H. Summers, J. Elguero, Bull. Soc. Chim. Fr ., ---- 3974-3976 (1972) Systèmes aromatiques a 10 électrons π dérivés de l’aza-3a pentalène. II. Essais de synthèse du système pyrazolo[5,1-c]s-triazole.

0178 J.-L. Aubagnac, J. Elguero, B. Rérat, C. Rérat, Y. Uesu, C. R. Acad. Sci ., 274C 1192-1195 (1972) Structure du perchlorate de phényl-1-tetraméthyl-2,3,5,5-pyrazolinium-2.

0179 E. Alcalde, J. de Mendoza, J. Elguero, Org. Magn. Reson ., 4 733-735 (1972) An Unusual Coupling 3J(H-N-N-H) Present in Pyrazolylhydrazides.

0180 J. M. Forniés-Marquina, J. Elguero,

13 Rev. Acad. Cien ., ---- 479-482 (1972) Données cristallographiques et résultats préliminaires sur la structure cristalline du méthyl-2 phényl-5 triazolo[3,4-b]thiadiazole.

Año 1973 (17 artículos)

0181 J. Elguero, A. J. H. Summers, An. Quim ., 69 411-414 (1973) Réactivité comparée des sels quaternaires de thiadiazole-1,3,4 et d’oxadiazole-1,3,4 vis-à-vis des nucléophiles.

0182 J.-L. Aubagnac, J. Elguero, J.-L. Gilles, Bull. Soc. Chim. Fr ., ---- 288-291 (1973) Etudes RMN en série hétérocyclique. IX. Problème de l’attribution des N-méthyles dans les diméthyl-1,2- pyrazolines-3.

0183 J.-L. Barascut, R. M. Claramunt, J. Elguero, Bull. Soc. Chim. Fr ., ---- 1849-1853 (1973) Etudes en chimie hétérocyclique. I. Etude de la méhylation de l’amino-s-triazole et identification spectroscopique des différents dérivés méthylés.

0184 P. Bouchet, J. Elguero, J.-M. Pereillo, Bull. Soc. Chim. Fr ., ---- 2482-2485 (1973) Recherches dans la série des azoles. XCIII. Nouvelles voies de synthèse de la phényl-1 pyrazolone-5: étude de la réaction de la phénylhydrazine avec le propiolate de méthyle et l’acetylène dicarboxylate de méthyle.

0185 J. Elguero, C. Marzin, J. Berthou, Bull. Soc. Chim. Fr ., ---- 3303-3306 (1973) Etude comparative de la stéréochimie de quatre cinnamaldazines à l’état solide (rayons X) et en solution (UV, IR, RMN).

0186 J. Elguero, C. Marzin, Bull. Soc. Chim. Fr ., ---- 3401-3406 (1973) Sur la stéréochimie des pyrazolines-2 résultant de l’action de l’hydrazine sur les cétones α,β -éthylèniques de configuration différente: Cas de l'éthyl-3 pentène-3-one-2.

0187 S. Mignonac-Mondon, J. Elguero, R. Lazaro, C. R. Acad. Sci ., 276C 1533-1535 (1973) Systèmes aromatiques à 10 électrons π dérivés de l’aza-3a pentalène. VI. Sur une nouvelle méthode de synthèse du méthyl-2 pyrazolo[1,5-a]benzimidazole.

0188 L. Pappalardo, J. Elguero, C. Marzin, C. R. Acad. Sci ., 277C 1163-1166 (1973) Etude par RMN de la conformation des dérivés N-acetylés des azoles.

0189 M. Witanowski, L. Stefaniak, K. Januszewski, J. Elguero, J. Chim. Phys ., 70 697-698 (1973) Etudes RMN en série hétérocyclique. X. Déplacements chimiques 14 N de pyrazoles substitués.

0190 P. Mauret, J.-P. Fayet, M. Fabre, J. Elguero, M. C. Pardo, J. Chim. Phys ., 70 1483-1485 (1973) Etude de la tautomérie du v-triazole à partir des mesures des moments dipolaires.

0191 J. Elguero, R. Jacquier, S. Mignonac-Mondon, J. Heterocycl. Chem ., 10 411-412 (1973) Systèmes aromatiques a 10 électrons π dérivés de l’aza-3a pentalène. III. Synthèse et propriétés spectroscopiques du méthyl-6 imidazo[1,2-b]pyrazole.

0192 R. Baumes, J. Elguero, R. Jacquier, G. Tarrago, J. Heterocycl. Chem ., 10 763-767 (1973) Sur une prétendue forme NH stable d’une pyrazoline-3.

0193 A. Maquestiau, Y. Van Haverbeke, R. Flammang, J. Elguero,

14 Org. Mass. Spectrom ., 7 271-276 (1973) Fragmentation de triazoles sous l’impact électronique II. 1,2,3-Triazole.

0194 A. Maquestiau, Y. Van Haverbeke, R. Flammang, M. C. Pardo, J. Elguero, Org. Mass. Spectrom ., 7 1267-1277 (1973) Fragmentation de triazoles sous l’impact électronique. IIII. Benzotriazole et dérivés alkylés.

0195 P. Bouchet, C. Coquelet, J. Elguero, R. Jacquier, Tetrahedron Lett ., ---- 891-894 (1973) Photochimie des o-nitrophényl-1 pyrazoles: Formation de benzotriazoles-1 oxyde.

0196 R. Faure, E.-J. Vincent, J. Elguero, Tetrahedron Lett ., ---- 2703-2706 (1973) Etude théorique de quelques systèmes aromatiques à 10 électrons π dérivés de l’aza-3a pentalène. VII.

0197 R. Baumes, J. Elguero, R. Jacquier, G. Tarrago, Tetrahedron Lett ., ---- 3781-3782 (1973) On the van Alphen-Hüttel Rearrangement: Acid-catalysed Rearangement of Pyrazolenines into Isopyrazoles.

Año 1974 (25 artículos)

0198 J. Elguero, A. Fruchier, An. Quim ., 70 141-148 (1974) Etudes RMN en série hétérocyclique. XII. Application de l’équation de Karplus au problème de la conformation des pyrazolines-2.

0199 R. M. Claramunt, R. Granados, J. Elguero, R. Lazaro, An. Quim., 70 986-990 (1974) Estudios en química heterocíclica. III. Reacción del 3-amino-s-triazol con haluros nitroaromáticos (publicacion XCVIII de "Recherches dans la série des azoles").

0200 J. Elguero, M. C. Pardo, An. Quim ., 70 991-993 (1974) N- y C-protonación de una 3-pirazolina: 8-metil-1-fenil-benzo[2,3]-1,8-diazabicyclo[3.2.1] hept-6-en-4-ona.

0201 P. Bouchet, J. Elguero, R. Jacquier, J.-M. Pereillo, Bull. Soc. Chim. Fr ., ---- 291-293 (1974) Recherches dans la série des azoles. XCVII. Synthèse et propriétés des acylamino-pyrazolones.

0202 J. Elguero, C. Marzin, L.Pappalardo, Bull. Soc. Chim. Fr ., 1137-1141 (1974) Etudes RMN en série hétérocyclique. XIV. Phénomènes de rotation restreinte dans quelques dérivés N-COR d’azoles et de pyrazolines-2.

0203 J. de Mendoza, J. Elguero, Bull. Soc. Chim. Fr ., ---- 1675-1677 (1974) Systèmes aromatiques à 10 electrons π dérivés de l’aza-3a pentalène. X. Série du s-triazolo [4,3- a]benzimidazole.

0204 R. Faure, G. Giusti, J.-P. Galy, E.-J. Vincent, J. Elguero, Bull. Soc. Chim. Fr ., ---- 2967-2968 (1974) Systèmes aromatiques a 10 electrons π dérivés de l’aza-3a pentalène. XII. Attribution des déplacements chimiques des protons du triazolo[3,4-b]benzothiazole par marquage au déuterium.

0205 J. de Mendoza, J. Elguero, Bull. Soc. Chim. Fr ., ---- 2987-2988 (1974) Systèmes aromatiques a 10 electrons π dérivés de l’aza-3a-pentalène. XVI. Recherches dans la série du benzimidazo[1,2-a]benzimidazole.

0206 J. W. ApSimon, J. Elguero, A. Fruchier, D. Mathieu, R. Phan Tan Luu, Can. J. Chem ., 52 2296-2305 (1974) Essai de calcul des paramètres d’anisotropie des liaisons C-C, C-H, C=C et C=O par régression multilinéaire

15 sur des données éxperimentales de RMN.

0207 J. Elguero, A. Fruchier, L. Knutsson, R. Lazaro, J. Sandström, Can. J. Chem ., 52 2744-2750 (1974) Systèmes aromatiques a 10 electrons π dérivés de l’aza-3a pentalène. XI. Etude par RMN de l’imidazo[1,2- b]pyrazole et du pyrazolo[1,5-a]benzimidazole.

0208 E. Alcalde, J. de Mendoza, J. Elguero, Chem. Commun ., ---- 411-412 (1974) Azido-Tetrazole Tautomerism in the Azole Séries.

0209 J. M. Forniés-Marquina, C. Courseille , J. Elguero, Crystal Struct. Comm ., ---- 7-9 (1974) 2-Methyl-5-phenyl-s-tria zolo[3,4-b]-1,3,4-thiadiazole.

0210 P. Bouchet, C. Coquelet, J. Elguero, J. Chem. Soc., Perkin Trans. 2 , ---- 449-451 (1974) σ-Values of N-Substituted Azoles.

0211 P. Mauret, J.-P. Fayet, M. Fabre, J. Elguero, J. de Mendoza, J. Chim. Phys ., 71 115-116 (1974) Etude de la tautomérie du benzotriazole à partir des mesures des moments dipolaires.

0212 E. Alcalde, J. de Mendoza, J. M. García Marquina, C. Almera, J. Elguero, J. Heterocycl. Chem ., 11 423-429 (1974) Etude de la reaction du β-aminocrotonitrile et du α−formyl phényl-acétonitrile avec l’hydrazine: Synthèse d'amino-7 pyrazolo[1,5-a]pyrimidines.

0213 R. M. Claramunt, J. M. Fabregá, J. Elguero, J. Heterocycl. Chem ., 11 751-754 (1974) Systèmes aromatiques a 10 electrons π dérivés de l’aza-3a pentalène. VII. Recherches dans la série du pyrazolo[3,2-c]-s-triazole.

0214 E. Alcalde, J. de Mendoza, J. Elguero, J. Heterocycl. Chem ., 11 921-928 (1974) Systèmes aromatiques a 10 electrons π dérivés de l’aza-3a pentalène. XVII. Tautomérie azido/tétrazole dans la série du pyrazole.

0215 J. Elguero, C. Marzin, J. D. Roberts, J. Org. Chem ., 39 357-363 (1974) NMR Studies of Heterocyclic Compounds. XI. Carbon-13 Magnetic Resonance Studies of Azoles. Tautomerism, Shift Reagents, and Solvent Effects.

0216 A. Maquestiau, Y. Van Haverbeke, R. Flammang, M. C. Pardo, J. Elguero, Org. Mass Spectrom ., 8 1188-1193 (1974) Fragmentation d’azoles sous l’impact électronique. V. Isomérisation du benzimidazole avant dégradation.

0217 J. Elguero, A. Fruchier, M. C. Pardo, Org. Magn. Reson ., 6 272-275 (1974) Etudes RMN en chimie hétérocyclique. XIII. Spectres des azoles dans l’acide sulfurique.

0218 R. Faure, J.-P. Galy, G. Giusti, E.-J. Vincent, J. Elguero, Org. Magn. Reson ., 6 485-486 (1974) Systèmes aromatiques a 10 electrons π dérivés de l’aza-3a pentalène. IX. Etude par RMN de l’équilibre azido/tétrazole dans le cas du tétrazolo[1,5-b]benzothiazole.

0219 P. Bouchet, C. Coquelet, G. Joncheray, J. Elguero, Synth. Commun ., 4 57-59 (1974) Réduction des groupes fonctionnels nitroaromatiques par l’hydrogène en présence de palladium sur charbon.

0220 J. Arriau, J.-P. Campillo, J. Elguero, J.-M. Pereillo, Tetrahedron , 30 1345-1352 (1974)

16 Etude par des methodes semi-empiriques de la chimie théorique dans la série des pyrazolones. VII. Sur le problème de la tautomérie des phénylazopyrazolones.

0221 E. Escande, J. Lapasset, R. Faure, E.-J. Vincent, J. Elguero, Tetrahedron , 30 2903-2909 (1974) Les benzazoles (indazole, benzimidazole, benzotriazole): Structure moleculaire et propriétés fondamentales.

0222 J. Vilarrasa, E. Meléndez, J. Elguero, Tetrahedron Lett ., ---- 1609-1610 (1974) Equilibre acido-base dans les diazoazoles.

Año 1975 (17 artículos)

0223 L. Pappalardo, J. Elguero, A. Fruchier, An. Quim ., 71 598-602 (1975) Recherches dans la série des azoles. XCIX. Etude par RMN des dérivés du benzimidazole.

0224 J. Elguero, L. Knutsson, S. Mignonac-Mondon, Bull. Soc. Chim. Fr ., ---- 255-256 (1975) Systèmes aromatiques à 10 electrons π dérivés de l’aza-3a pentalène. XIX. Recherches dans la série dihydro- 2,3 imidazo[1,2-b]pyrazole.

0225 M.-C. Vertut, J.-P. Fayet, E. Gonzalez, R. Sarlin, J. Elguero Bull. Soc. Chim. Fr ., ---- 1871-1872 (1975) Systèmes aromatiques a 10 electrons π dérivés de l’aza-1 pentalène. II. Etude de la tautomérie annulaire du méthyl-4 phényl-6 pyrazolo[3,4-d]-v-triazole.

0226 A. Maquestiau, Y. Van Haverbeke, R. Flammang, R.M. Claramunt, J. Elguero Bull. Soc. Chim. Fr ., ---- 2693-2695 (1975) Azolides. XI. Comportement sous l’impact électronique de differentes azolides.

0227 J. Elguero, C. Marzin, M. E. Peek Bull. Soc. Chim. Belg ., 84 499-500 (1975) Restricted Rotation in 4-Formyl Pyrazole.

0228 J. Elguero, R. Faure, J.-P. Galy, E.-J. Vincent Bull. Soc. Chim. Belg., 84 1189-1196 (1975) Etude de l'équilibre azido >==> tétrazole dans la série du thiazolo[2,3-e]tétrazole. I. Effets de solvant.

0229 J. Teysseyre, J. Arriau, A. Dargelos, J. Elguero J. Chim. Phys ., 72 303-308 (1975) Approche théorique des mécanismes de protonation. I. Enamines.

0230 J.-P. Fayet, M.-C. Vertut, P. Mauret, J. de Mendoza, J. Elguero J. Heterocycl. Chem ., 12 197-198 (1975) Systèmes aromatiques a 10 electrons π dérivés de l’aza-3a pentalène. XIII. Etude de la tautomérie du s- triazolo[4,3-a]benzimidazole et du pyrazolo[1,5-a]benzimidazole à partir des moments dipolaires.

0231 E. Gonzalez, R. Sarlin, J. Elguero, J. Heterocycl. Chem ., 12 279-285 (1975) Systèmes aromatiques a 10 electrons π dérivés de l’aza-1 pentalène. I. Recherches dans la série du pyrazolo [3,4-d]-v-triazole.

0232 A. Maquestiau, Y. Van Haverbeke, R. Flammang, M. C. Pardo, J. Elguero Org. Mass Spectrom ., 10 313-316 (1975) Fragmentation d’azoles sous l’impact électronique. VII. N-Ethylbenzimidazoles.

0233 A. Maquestiau, Y. Van Haverbeke, R. Flammang, M. C. Pardo, J. Elguero, Org. Mass Sprctrom ., 10 558-560 (1975) Fragmentation d’azoles sous l’impact électronique. VI. Indazole.

0234 M. Calafell, J. Elguero, A. Fruchier,

17 Org. Magn. Reson ., 7 84-85 (1975) Etudes RMN en série hétérocyclique. XV. Résonance magnétique nucléaire de 1H et de 19 F de quelques fluoro-2 benzothiazoles.

0235 P. Bouchet, C. Coquelet, J. Elguero, Org. Magn. Reson ., 7 247-248 (1975) Vicinal Interproton Coupling Through Two Heteroatoms. II. Coupling 3J (H-N-O-H) Occuring in N- Nitrophenylhydroxylamines.

0236 J. Elguero, C. Marzin, M. E. Peek, Org. Magn. Reson ., 7 445-450 (1975) Azolides. VII. Restricted Rotation in N-Acylindoles and Carbazoles. Anisotropy Effect of Carbonyl Group.

0237 R. M. Claramunt, J.-P. Fayet, M.-C. Vertut, P. Mauret, J. Elguero Tetrahedron , 31 545-548 (1975) Systèmes aromatiques a 10 electrons π dérivés de l’aza-3a pentalène. XVIII. Recherches dans la série du s- triazolo[4,3-b]-s-triazole.

0238 K. Burger, H. Schikaneder, J. Elguero Tetrahedron Lett ., ---- 2911-2914 (1975) Ein Einfacher Zugang Zum 1-NH-Pyrazolin-System.

0239 J. Elguero, G. Llouquet, C. Marzin Tetrahedron Lett ., ---- 4085-4086 (1975) Annular Tautomerism of Benzimidazoles: Effect of a Hydrogen Bond on the Prototropic Rate.

Año 1976 (12 artículos)

0240 P. Bouchet, C. Coquelet, J. Elguero, R. Jacquier Bull. Soc. Chim. Fr ., ---- 184-191 (1976) Photochimie d’hétérocycles azotés. I. o-Nitrophényl-1 et (dinitro-2',4' phényl)-1 pyrazoles: Formation de benzotriazoles 1-oxyde.

0241 P. Bouchet, C. Coquelet, J. Elguero, R. Jacquier Bull. Soc. Chim. Fr ., ---- 192-194 (1976) Photochimie d’hétérocycles azotés. II. (Dinitro-2',4' phenyl)-1 imidazoles.

0242 H. Sauvaitre, J. Teysseyre, J. Elguero Bull. Soc. Chim. Fr ., ---- 635-641 (1976) Azolides. VI. Application des méthodes semi-empiriques de la chimie théorique au problème de l’isomérie et de la conformation des azolides.

0243 P. Bouchet, C. Coquelet, J. Elguero, R. Jacquier, Bull. Soc. Chim. Fr ., ---- 839-844 (1976) Recherches dans la série des azoles. C. Réduction catalytique de nitrophényl-1 pyrazoles.

0244 J. Teysseyre, J. Arriau, A. Dargelos, J. Elguero, A. R. Katritzky, Bull. Soc. Chim. Belg ., 85 39-48 (1976) Approche théorique du probleme de la tautomérie des triades HX-Y=Z <===> X=Y-ZH. I. Equilibre amine- imine (Y = CH, Z = NH).

0245 J. Elguero, A. Fruchier, G. Llouquet, C. Marzin, Can. J. Chem ., 54 1135-1138 (1976) 1H Nuclear Magnetic Resonance Study of Medium-Sized Rings: 3,4-Dihydro-1,6-benzo-diazocine-2,5-diones.

0246 J. Elguero, A. Fruchier, M.C. Pardo Can. J. Chem ., 54 1329-1331 (1976) Spectre de l’indazole en Résonance Magnétique Nucléaire du 13 C.

0247 J.-P. Fayet, M.-C. Vertut, P. Mauret, R. Faure, J.-P. Galy, E.-J. Vincent, J. Elguero, C. R. Acad. Sci ., 283C 157-158 (1976)

18 Sur l’utilisation des moments dipolaires pour l’étude de l’isomérie azido <==> tétrazole.

0248 J. Elguero, A. R. Katritzky, B. S. El-Osta, R. L. Harlow, S. H. Simonsen, J. Chem. Soc. Perkin Trans. 1, ---- 312-315 (1976) Synthesis, Spectra and Crystal Structure of 6,7,14,15-Tetrahydrobis-benzimidazo [1,2-a; 1',2'-e][1,5] diazocine.

0249 L. A. Burke, J. Elguero, G. Leroy, M. Sana, J. Am. Chem. Soc ., 98 1685-1690 (1976) Theoretical Study of the Azido-Tetrazole Isomerisation.

0250 R. Faure, E.-J. Vincent, R. M. Claramunt, J. M. Fabregà, J. Elguero Tetrahedron , 32 341-348 (1976) Systèmes aromatiques a 10 électrons π dérivés de l’aza-3a pentalène. XXI. Etude théorique et expérimentale de tétraazapentalènes.

0251 E. Gonzalez, R. Sarlin, J. Elguero Bull. Soc. Chim. Belg ., 85 829-832 (1976) Systèmes aromatiques a 10 electrons π dérivés de l’aza-1 pentalène. III. Recherches dans la série du pyrazolo[3,4-c]pyrazole.

Año 1977 (19 artículos)

0252 R. M. Claramunt, J. Elguero, A. Fruchier, M. J. Nye Afinidad , 34 545-551 (1977) Etude de l’isometrie azido/tetrazole dans la série des azoles par la methode HMO: Approche topologique.

0253 P. Bouchet, C. Coquelet, J. Elguero Bull. Soc. Chim. Fr ., ---- 171-180 (1977) Mise au point: Les fluoroazoles, synthèse, propriétés et applications.

0254 G. Vernin, C. Siv, J. Metzger, J. Elguero, A. Archavlis Helv. Chim. Acta ., 60 495-497 (1977) Comportement en 1H-RMN des diaryl-1,3-triazènes dans les solvants neutres et acides.

0255 R. Faure, J.-P. Galy, E.-J. Vincent, J. Elguero, P. Mauret, J.-P. Fayet, M.-C. Vertut Bull. Soc. Chim. Fr ., ---- 288-294 (1977) Systèmes aromatiques a 10 electrons π dérivés de l’aza-3a pentalène. XXV. Etudes théoriques et expérimentaux dans la série du s-triazolo[3,4-b]benzothiazole.

0256 J. Elguero, R. Faure, R. Lazaro, E.-J. Vincent Bull. Soc. Chim. Belg ., 86 95-96 (1977) Etude par RMN du 13 C du benzothiazole et de ses dérivés nitrés.

0257 C. Marzin, M. E. Peek, J. Elguero, H. P. Figeys, N. Defay, Heterocycles , 6 911-927 (1977) Dynamic Conformational and Exchange Processes in 2-(4’-Pyridyl) Benzazoles.

0258 R. Faure, J.-P. Galy, E.-J. Vincent, P. Mauret, J.-P. Fayet, M.-C. Vertut, J. Elguero Can. J. Chem ., 55 1728-1735 (1977) Systèmes aromatiques a 10 electrons π dérivés de l’aza-3a pentalène. XXVII. Etude de l’équilibre azido/tétrazole dans les oxazolo[2,3-e], thiazolo [2,3-e] et isoxazolo[2,3-d] tetrazoles. II. Effet de la température par dipolemetrie et RMN.

0259 G. Hawkes, E. W. Randall, J. Elguero, C. Marzin J. Chem. Soc., Perkin Trans. 2, ---- 1024-1027 (1977) Carbon 13 and Nitrogen 15 NMR Study of Pyrazolones Tautomerism.

0260 R. Gassend, J. C. Maire, J. C. Pommier, J. Elguero J. Organometal. Chem ., 141 49-56 (1977) Etude dans la série des organostannylazoles. IV. Reactions d’addition nucléophile sur les dérivés carbonylés.

19 0261 J. Elguero, B. L. Johnson, J.-M. Pereillo, G. Pouzard, M. Rajzmann, E. W. Randall, Org. Magn. Reson ., 9 145-147 (1977) Constantes de couplage vicinales a travers deux hétéroatomes. III. Calculs théoriques et mesures expérimentales dans les hydrazines enrichies en 15 N.

0262 A. Fruchier, E. Alcalde, J. Elguero, Org. Magn. Reson ., 9 235-236 (1977) NMR Studies in the Heterocyclic Series. XVI. Determination of the Structure of 3-Azidoindazole by 1H and 13 C NMR Spectroscopy.

0263 R. Faure, E.-J. Vincent, R. M. Claramunt, J. Elguero, Org. Magn. Reson ., 9 508-511 (1977) Systèmes aromatiques a 10 electrons π dérivés de l’aza-3a pentalène. XXVI. Etude de quelques dérivés polyazapentaleniques en resonance du carbone 13.

0264 P. Bouchet, A. Fruchier, G. Joncheray, J. Elguero Org. Magn. Reson ., 9 716-718 (1977) NMR Studies in the Heterocyclic Séries. XVII. Carbon-13 Spectra of Indazole Derivatives.

0265 A. Dargelos, S. El Ouadi, D. Liotard, M. Chaillet, J. Elguero Chem. Phys. Lett ., 51 545-551 (1977) The Limits of Electrostatic Potential Predictions: A Theoretical Study of Nitrous Acid and Protonated Derivatives.

0266 J.-P. Fayet, M.-C. Vertut, P. Mauret, R. M. Claramunt, J. Elguero Rev. Roum. Chim ., 22 471-474 (1977) Azolides. IX. Etude de la conformation des azolides par dipolemetrie.

0267 R. Lazaro, D. Mathieu, R. Phan Tan Luu, J. Elguero Bull. Soc. Chim. Fr ., ---- 1163-1170 (1977) Plans d’experiences. I. Analyse du mécanisme de formation des dimethyl-1,3 et -1,5 pyrazoles par action de la méthylhydrazine sur la diméthoxy-4,4 butanone-2 en présence d’acide.

0268 R. Faure, J.-P. Galy, E.-J. Vincent, J. Elguero J. Heterocycl. Chem ., 14 1299-1304 (1977) Etude de l’equilibre azido/tétrazole dans la série du thiazolo[2,3-e]tétrazole. III. Effets des substituants.

0269 R. Faure, J.-P. Galy, E.-J. Vincent, J. Elguero Org. Magn. Reson ., 10 249-250 (1977) Determination du site de protonation de l’azido-2 thiazole et du thiazolo[2,3-e]tétrazole à partir de la largeur des raies des signaux protoniques.

0270 R. M. Claramunt, J. Elguero Chem. Lett ., ---- 1441-1442 (1977) Azidoazomethine-Tetrazole Isomerism in Tetrazolo[1,5-a]perimidine.

Año 1978 (19 artículos)

0271 J. Elguero, E. Gonzalez, R. Sarlin An. Quim ., 74 527-528 (1978) Transposition de type Boulton-Katritzky de la phénylhydrazone de la phényl-1-méthyl-3 acétyl-4-pyrazolone- 5.

0272 L. Knutsson, J. Elguero An. Quim ., 74 795-798 (1978) Aromatic systems with 10 π electrons derived from 3a-azapentalene. XXXIII. On the synthesis and reactivity of 6-methyl imidazo[1,2-b]pyrazole.

0273 H. J. M. Dou, J. Elguero, M. Espada, P. Hassanaly An. Quim ., 74 1137-1139 (1978) Catalyse par transfert de phase dans la série des azoles: N-Alkylation du pyrazole.

20 0274 J. Elguero, A. Fruchier, L. Pappalardo, M. C. Pardo An. Quim ., 74 1529-1535 (1978) Azolides. VIII. Etude par RMN du proton des dérivés N-methylés et N-acetylés du benzotriazole, de l'imidazo[4,5-b]pyridine et de la purine.

0275 R. Faure, E.-J. Vincent, J. Elguero, J. de Mendoza, P. Rull Bull. Soc. Chim. Fr ., ---- 273-277 (1978) Systèmes aromatiques a 10 electrons π dérivés de l’aza-3a pentalène. XXX. Etude de la structure du s- triazolo[4,3-a]benzimidazole et de ses sels par UV et RMN du 13 C.

0276 J.-P. Fayet, M.-C. Vertut, P. Mauret, R. M. Claramunt, J. Elguero, E. Alcalde Bull. Soc. Chim. Belg ., 87 189-193 (1978) Etude de la conformation et de la tautomérie des azidoazoles par dipolemetrie.

0277 R. Faure, J.-P. Galy, E.-J. Vincent, J. Elguero Can. J. Chem ., 56 46-55 (1978) Etudes d’hétérocycles pentagonaux polyhétéroatomiques par RMN du 13 C. Thiazoles et thiazolo[2,3- e]tétrazoles.

0278 J. Elguero, M. Espada C. R. Acad. Sci ., 287C 439-441 (1978) Sur la reaction de déquaternarisation des halogénures de pyrazolium et indazolium.

0279 M. Begtrup, R. M. Claramunt, J. Elguero J. Chem. Soc., Perkin Trans. 2 , ---- 99-104 (1978) Azolides. Part 12. Carbon-13 NMR Study of N-Methyl and N-Acetyl Derivatives of Azoles and Benzazoles.

0280 J. Delettre, J.-P. Mornon, E. Alcalde, J. de Mendoza, R. Faure, E.-J. Vincent, J. Elguero J. Heterocycl. Chem ., 15 185-192 (1978) Structure moléculaire et proprietés moléculaires de quatre isomères de formule C 8H10 N4.

0281 E. Alcalde, R. M. Claramunt, J. Elguero, C. P. S. Huber J. Heterocycl. Chem ., 15 395-399 (1978) Aromatic Systems with 10 π Electrons Derived from 3a-Azapentalène. XXVII. Electronic and Molecular Structure of the Pyrazolo[1,5-d]tetrazole System.

0282 P. Bouchet, G. Joncheray, R. Jacquier, J. Elguero J. Heterocycl. Chem ., 15 625-631 (1978) Photochimie d’hétérocycles azotés. IV. Transposition de type Photo-Fries des N-acétyl benzimidazolones.

0283 R. Lazaro, J. Elguero J. Heterocycl. Chem ., 15 715-720 (1978) Systèmes aromatiques a 10 electrons π dérivés de l’aza-3a pentalène. XXXII. Recherches dans la série du pyrazolo[1,5-a]benzimidazole.

0284 J.-P. Fayet, M.-C. Vertut, A. Fruchier, E. M. Tjiou, J. Elguero Org. Magn. Reson ., 11 134-138 (1978) NMR Studies in the Heterocyclic Séries. XVIII. Carbon-13 NMR Study of Azolium Salts. Attempted Correlation of Chemical Shifts with Calculated Charge Densities.

0285 R. Faure, J.-P. Galy, E.-J. Vincent, J. Elguero Org. Magn. Reson ., 11 507-509 (1978) Identification et etude en RMN du carbone-13 des produits de la réaction de quaternisation en série thiazolo[3,2-a]tétrazolique.

0286 R. Faure, J. Elguero, E.-J. Vincent, R. Lazaro Org. Magn. Reson ., 11 617-627 (1978) Etudes d’hétérocycles pentagonaux polyhétéroatomiques par RMN du 13 C. Effets de substituant, de la benzocondensation et étude de la tautomérie prototropique en série benzothiazolique.

0287 J. Font, A. Moral, F. Sánchez-Ferrando, J. Elguero Tetrahedron , 34 791-798 (1978) 21 Spectroscopic Behaviour of Methyl Chlorooctanoates.

0288 T. Avignon, L. Bouscasse, J. Elguero Tetrahedron , 34 1139-1145 (1978) Etude de la conformation des N-Arylazoles par la méthode E.H.T. (Extended Hückel Theory).

0289 E. Gonzalez, R. Sarlin, J. Elguero Tetrahedron , 34 1175-1178 (1978) Acylation d’aminopyrazoles: Formation de pyrazolo[3,4-b]pyridines, pyrazolo[3,4-d] pyrimidines et dipyrazolo[3,4-b;4',3'-e]pyridines.

Año 1979 (18 artículos)

0290 R. M. Claramunt, J. Elguero, C. Marzin, J. Seita An. Quim ., 75 701-706 (1979) NMR Studies in the Heterocyclic Séries. XIX. Proton Exchange Phenomena in Azoles.

0291 J. Elguero, M. Espada, D. Mathieu, R. Phan Tan Luu An. Quim ., 75 729-732 (1979) Plans d’experiences. III. Analyse d’un cas d’alcoylation dans les conditions de la catalyse par transfert de phase.

0292 R. Barone, P. Camps, J. Elguero An. Quim ., 75 736-738 (1979) Synthèse organique assistée par ordinateur: Application aux indazoles.

0293 F. Busetta, F. Leroy, M. Hospital, J. Elguero, A. Bladé-Font Acta Crystallogr ., Ser. B B35 1525-1527 (1979) O,N -Diacetate de l’enol de Colchicine .

0294 J. Elguero, M. Espada An. Quim ., 75 771-774 (1979) Etudes RMN en série hétérocyclique. XXI. Comparaison des déplacements chimiques du 13 C de dérivés N- substitués du pyrazole et de dérivés bromés.

0295 J. Llinares, J.-P. Galy, R. Faure, E.-J. Vincent, J. Elguero Can. J. Chem ., 57 937-945 (1979) Structure et reactivité des benzoxazoles. Etude par RMN du carbone-13.

0296 A. Blade-Font, R. Muller, J. Elguero, R. Faure, E.-J. Vincent Chem. Lett ., ---- 233-236 (1979) Carbon-13 NMR Spectrum of Colchicine : A Reassignment.

0297 M. Sana, G. Leroy, M. T. Nguyen, J. Elguero Nouveau J. Chim ., 3 607-621 (1979) Etude théorique de la formation, de l’isomérisation et de la décomposition des molécules de pentazole et de pentazène.

0298 R. Faure, J. Llinares, E.-J. Vincent, J. Elguero Org. Magn. Reson ., 12 579-582 (1979) Etude en RMN du Carbone-13 de N-Aryl pyrazolines-2 diversement substituées. Effets de substituant et étude conformationnelle.

0299 E. Gonzalez, R. Faure, E.-J. Vincent, M. Espada, J. Elguero Org. Magn. Reson ., 12 587-592 (1979) Etude en RMN du carbone-13 de quelques aminopyrazoles. Sur le problème de la determination des constantes d’équilibre tautomère.

0300 A. Maquestiau, Y. Van Haverbeke, N. Vanovervelt, R. Flammang, J. Elguero Org. Mass Spectrom ., 14 114-116 (1979) Profil de pics metastables (pertes de NO .) en série nitroindazolique.

22 0301 A. Maquestiau, Y. Van Haverbeke, R. Flammang, H. Mispreuve, J. Elguero Org. Mass Spectrom ., 14 117-118 (1979) Ionisation chimique de composés aromatiques nitrés.

0302 K. Burger, H. Schikaneder, F. Hein, J. Elguero Tetrahedron , 35 389-395 (1979) Synthesis of 1 H-3-Pyrazolines.

0303 P. Bouchet, G. Joncheray, R. Jacquier, J. Elguero Tetrahedron , 35 1331-1338 (1979) Photochimie d’hétérocycles azotés. V. Reactions de photosubstitution en série hétérocyclique: Cas des p- nitrophenyl-1 pyrazoles et imidazoles.

0304 R. N. Butler, T. McEvoy, E. Alcalde, R. M. Claramunt, J. Elguero J. Chem. Soc., Perkin Trans. 1, ---- 2886-2890 (1979) Aromatic Systems with 10 π Electrons Derived from 3a-Aza-Pentalène. Part 37. Cyclization of the Anion of Azido-s-Triazole into the Anion of s-Triazolo[2,3-d]tetrazole.

0305 A. Samat, J. Elguero, J. Metzger Chem. Commun ., ---- 1182-1183 (1979) Synthesis of a Simple Model of Nactin Antibiotics.

0306 J.-P. Galy, J. Elguero, E.-J. Vincent, A.-M. Galy, J. Barbe Synthesis , 944-946 (1979) A Convenient Synthesis of N-Alkylacridanones Using Phase-Transfer Catalysis.

0307 A. Fruchier, J. Elguero Spectrosc. Lett ., 12 809-814 (1979) NMR Studies in the Heterocyclic Séries. XXIII. 13 C Spectra of Indazole and 3-Azidoindazole in Acidified Dimethylsulfoxide Solution.

Año 1980 (15 artículos)

0308 J. Elguero Actualités Chimie Thérapeutique , ---- 157-175 (1980) Applications de la RMN du carbone-13 dans les domaines biologique et thérapeutique.

0309 A. Fruchier, L. Pappalardo, J. Elguero An. Quim ., 76C 79-84 (1980) Etudes RMN en chimie hétérocyclique. XXII. Etude par RMN du carbone-13 de dérivés du benzimidazole.

0310 J. Elguero, R. Faure, J.-P. Galy, E.-J. Vincent, D. Mathieu, R. Phan Tan Luu An. Quim ., 76C 211-221 (1980) Etude de l’equilibre azido/tétrazole dans la série du thiazolo[3,2-d]tétrazole. IV. Etude des effets des solvants, des substituants et de la température sur la constante d’équilibre: Terme principal et termes d’interaction.

0311 M. Lhamyani-Chraibi, M. Gelize-Duvigneau, J. Arriau, J. Elguero Bull. Soc. Chim. Belg ., 89 71-81 (1980) Approche théorique du problème de la tautomérie des triades.

0312 J. Elguero, R. N. Muller, A. Blade-Font, R. Faure, E.-J. Vincent Bull. Soc. Chim. Belg ., 89 193-204 (1980) Carbon-13 NMR. A Study of Colchicine and Related Compounds.

0313 D. Mathieu, R. Phan Tan Luu, J. Elguero Bull. Soc. Chim. Belg ., 89 267-279 (1980) Méthodes modernes de construction de matrices d’experiences optimales. I. Examen des résultats cinétiques obtenus par Pivovarov, Istomin et collaborateurs dans la solvolyse de bases de Mannich.

0314 R. Faure, J.-P. Galy, E.-J. Vincent, J. Elguero, A.-M. Galy, J. Barbe Chem. Scripta , 15 62-66 (1980) 13 C NMR of Some 9-Substituted Acridine Derivatives.

23 0315 J.-P. Galy, J. Elguero, E.-J. Vincent, A.-M. Galy, J. Barbe Heterocycles , 14 311-313 (1980) Direct Synthesis of Some 9-Aminoalkyl Acridines from 9-Aminoacridine Using Phase Transfer Catalysis.

0316 J. de Mendoza, M. L. Castellanos, J.-P. Fayet, M.-C. Vertut, J. Elguero J. Chem. Res ., M 514-518 (1980) N,N’ -Linked Biazoles. Part 1. Synthesis and Physicochemical Study of 1-Pyrrolyl- and 1,2,4-Triazol-4-yl- Linked Biazoles.

0317 G. Tarrago, A. Ramdani, J. Elguero, M. Espada J. Heterocycl. Chem ., 17 137-142 (1980) Orientation de la réaction d’alkylation des pyrazoles dans des conditions neutres et en catalyse par transfert de phase.

0318 J.-P. Gasparini, R. Gassend, J. C. Maire, J. Elguero J. Organometal. Chem ., 188 141-150 (1980) Etude dans la série des organosilylazoles. I. Action des halogenures d’alkyle, des chlorures d’acide et des cétones halogenées.

0319 J. Elguero, A. Fruchier, A. Könnecke Monatsch. Chem ., 111 775-778 (1980) Weitreichende H,H-Kopplungskonstanten in N-Methlyierten Azolen.

0320 A. Fruchier, J. Elguero, A. F. Hegarty, D. G. Mccarthy Org. Magn. Reson ., 13 339-342 (1980) NMR Studies in the Heterocyclic Séries. XX. Carbon-13 NMR Study of the Structures of Hydroxybenzotriazole and its Acylated Derivatives.

0321 J. Llinares, J. Elguero, R. Faure, E.-J. Vincent Org. Magn. Reson ., 14 20-24 (1980) Carbon-13 NMR Studies of Nitrogen Compounds. I. Substituent Effects of Amino, Acetamido, Diacetamido, Ammonium and Trimethylammonium Groups.

0322 P. Bouchet, R. Lazaro, M. Benchidmi, J. Elguero Tetrahedron , 36 3523-3533 (1980) Photochimie d’hétérocycles azotés. VII Synthèse par voie photochimique d’amino et d’alkoxy indazoles.

Año 1981 (14 artículos)

0323 J. Elguero Anales Real Acad. Farm ., 47 137-146 (1981) El empleo de las matemáticas en la investigación farmacéutica.

0324 J. Arriau, J. Elguero An. Quim ., 77C 105-111 (1981) Etude théorique de la tautomérie d’hétérocycles a cinq chainons contenant 1 ou 2 hétéroatomes dans le cycle.

0325 J.-P. Galy, E.-J. Vincent, A.-M. Galy, J. Barbe, J. Elguero Bull. Soc. Chim. Belg ., 90 947-954 (1981) Etude comparative de la reactivité des acridanones, des aminoacridines et des thioacridanones vis-a-vis des agents d’alkylation dans les conditions de la catalyse par transfer de phase.

0326 C. Cativiela, J. Elguero, J. Fernández, E. Meléndez, R. Muller Bull. Soc. Chim. Fr ., ---- 425-428 (1981) Etude par RMN 13 C de la structure des hydroxy-2 nicotinamides.

0327 R. M. Claramunt, J. Elguero Coll. Czech. Chem. Commun ., 46 584-596 (1981) Proton, Carbon-13, and Fluorine-19 NMR Study of N-Arylpyridinium Salts: Attempted Calculations of the σI and σ R Values for N-Pyridinium Substituents.

0328 J. Elguero, C. Estopá, D. Ilávsky 24 J. Chem. Res ., S 364-365 (1981) 19 Studies on the Azole Séries. Part 101. Determination by F NMR Spectroscopy of the σI and σR Parameters of N-Substituted Azoles.

0329 J. Elguero, A. Fruchier, V. Pellegrin Chem. Comm ., ---- 1207-1208 (1981) Annular Tautomerism in the Solid State: A High Resolution Study.

0330 R. M. Claramunt, R. Gallo, J. Elguero, D. Mathieu, R. Phan Tan Luu J. Chim. Phys ., 78 805-814 (1981) Application of the Modern Methods of Building Optimum Experimental Matrices. II. A Study of the Menschutkin Reaction.

0331 V. Pellegrin, A. Fruchier, J. Elguero J. Label. Comp. Radiopharm ., 18 999-1008 (1981) Synthèse de l’indazole-1-15 N, de l’indazole-2-15 N et de leurs dérivés N-méthylés.

0332 J.-P. Gasparini, R. Gassend, J. C. Maire, J. Elguero J. Organometal. Chem ., 208 309-315 (1981) Etude dans la série des organosilylazoles. II. Reaction d’addition nucléophile sur les dérivés carbonylés.

0333 D. Boyer, R. Gassend, J. C. Maire, J. Elguero J. Organometal. Chem ., 215 157-164 (1981) Etude dans la série des organogallylazoles. I. Synthèse et structure.

0334 D. Boyer, R. Gassend, J. C. Maire, J. Elguero J. Organometal. Chem ., 215 349-354 (1981) Etudes dans la série des organogallylazoles. II. Reactions de substitution par les halogénures d’alkyles et les chlorures d’acides.

0335 J. Llinares, R. Faure, E.-J. Vincent, J. Elguero Spectrosc. Lett ., 14 423-430 (1981) Carbon-13 NMR Studies of Nitrogen Compounds. II. 13 C NMR Chemical Shifts of N-Substituted Formamides in Neutral and Acidic Solvents.

0336 C. Guimon, S. Khayar, G. Pfister-Guillouzo, R. M. Claramunt, J. Elguero Spectrosc. Lett ., 14 747 753 (1981) A Photoelectron Spectroscopic Study of the 2-Azidopyridine <==> Tetrazolo[1,5-a]pyridine Equilibrium Between 391 and 533 K.

Año 1982 (13 artículos)

0337 J. Elguero, A. Fruchier Afinidad , 39 548-550 (1982) An Interactive "De Novo" Method for QSAR Studies.

0338 J. Elguero, C. Ochoa, M. Stud Heterocycles , 17 401-404 (1982) Reactivity of 5-Methyl-2H-1,2,6-Thiadiazin-3(6 H)-one 1,1-Dioxyde Towards Alkylating Agents and Carbenes.

0339 M. Sollhuber, G. G. Trigo, J. Elguero, A. Fruchier Heterocycles , 19 347-352 (1982) 13 C-NMR Studies of Antitumoral Alkaloids. II. Cryptopleurine .

0340 A. Samat, M. E. M. Bibout, J. Elguero Heterocycles , 19 469-472 (1982) Synthesis of 32-Crown-8-Tetraester Compound: Model of Macrotetrolid Antibiotics.

0341 K. Burger, F. Hein, O. Dengler, J. Elguero J. Fluorine Chem ., 19 437-449 (1982)

25 3-Trifluoromethyl-Pyrazole aus 5,5-Bis (Trifluormethyl)-1H-3-Pyrazolinen.

0342 M. T. Nguyen, G. Leroy, M. Sana, J. Elguero J. Heterocycl. Chem ., 19 943-944 (1982) Note sur le mécanisme réactionnel de la transposition de Dimroth. Une etude ab initio .

0343 S. Julià, P. Sala, J. del Mazo, M. Sancho, C. Ochoa, J. Elguero, J.-P. Fayet, M.-C. Vertut J. Heterocycl. Chem ., 19 1141-1145 (1982) N-Polyazolylmethanes. 1. Synthesis and NMR Study of N,N ’-Diazolylmethanes.

0344 J. Elguero, C. Ochoa, M. Stud, C. Esteban-Calderón, M. Martínez-Ripoll, J.-P. Fayet, M.-C. Vertut J. Org. Chem ., 47 536-544 (1982) Synthesis and Physicochemical Properties of 1,2,6-Thiadiazine 1,1-Dioxides. A Comparative Study with Pyrazoles.

0345 E. Díez-Barra, M. C. Pardo, J. Elguero J. Org. Chem ., 47 4409-4412 (1982) Reactivity of Tetracyanoethylene Oxide Towards Heteroaromatic Compounds. Synthesis and Structure of Heterocyclic Dicyanomethylides.

0346 A. Samat, M. E. M. Bibout, M. Chanon, J. Elguero Nouveau J. Chim ., 6 483-488 (1982) Synthèse et relations structure-activité d’homologues des ionophores nactiniques.

0347 A. Fruchier, V. Pellegrin, R. Schimpf, J. Elguero Org. Magn. Reson ., 18 10-13 (1982) NMR Studies in the Heterocyclic Séries. XXIV. 1H, 13 C and 15 N Study of 15 N Labelled Indazoles.

0348 C. Guimon, S. Khayar, G. Pfister-Guillouzo, R. M. Claramunt, J. Elguero Spectrosc. Lett ., 15 435-438 (1982) A Direct Photoelectron Spectroscopy Study of the 2-Azidopyridine Pyrolysis.

0349 R. Uson, L. A. Oro, M. Esteban, A. M. Cuadro, P. Navarro, J. Elguero Transition Met. Chem ., 7 234-238 (1982) Polynuclear Rhodium (I) Complexes with 3,3',5,5'-Tetramethyl-4,4'-bipyrazole and 4,4'-Methylen-bis(3,5- dimethylpyrazole).

Año 1983 (22 publicaciones)

0350 M. Marcos, E. Meléndez, J. L. Serrano, J. Elguero, R. Phan Tan Luu, D. Mathieu An. Quim ., 79B 664-669 (1983) Optimización de las propiedades mesógenas de cristales líquidos. Aplicacion del algoritmo de Scheffe al estudio de mezclas de cuatro cetazinas.

0351 J. Elguero, A. Fruchier An. Quim ., 79C 72-76 (1983) Classification des solvants par analyse des correspondances.

0352 R. Baumes, H. C. N. Tien Duc, J. Elguero, A. Fruchier An. Quim ., 79C 128-131 (1983) Analyse et prediction par la méthode " de novo " de l’activite spasmolytique d’une série de thienylaminobutyronitriles et valéronitriles.

0353 E. Alcalde, R. M. Claramunt, J. Elguero An. Quim ., 79C 248-250 (1983) Sistemas Aromáticos de 10 electrones π derivados del 3a-azapentaleno. XXXVIII. Estudio cinético de la ciclación de los aniones azido-pirazólicos en aniones de pirazolo[1,5-d]tetrazol.

0354 R. Faure, E.-J. Vincent, P. Berthelot, M. Debaert, J. Elguero An. Quim ., 79C 385-387 (1983) Etude par resonance magnétique nucléaire d’agents tuberculostatiques. I. Déplacements chimiques du carbone- 13 de l’ ethambutol et de substrats analogues.

26 0355 J. Catalán, J. Elguero, R. Flammang, A. Maquestiau Angew. Chem. Int. Ed. Engl ., 22 323-324 (1983) The Relative Basicities of Imidazole and Benzimidazole.

0356 R. M. Claramunt, R. Hernández, J. Elguero, S. Julià Bull. Soc. Chim. Fr. II , ---- 5-10 (1983) (N-Polyazolyl)methanes. II. Synthèse et reactivité de méthylène-1,1’-dipyrazoles.

0357 M. Marcos, E. Meléndez, J. L. Serrano, D. Mathieu, R. Phan Tan Luu, J. Elguero Bull. Soc. Chim. Belg ., 92 429-436 (1983) Study of the Mesomorphic Behavior of Ternary Mixtures of Alkoxybenzalazines by Means of the Scheffe Design.

0358 M. T. Nguyen, M. Sana, G. Leroy, J. Elguero, Can. J. Chem ., 61 1435-1439 (1983) Etude théorique de la structure et de la reactivité de l’anion du pentazole.

0359 C. Cativiela, J. Elguero, D. Mathieu, E. Meléndez, R. Phan Tan Luu, Eur. J. Med. Chem ., 18 359-363 (1983) Applications des méthodes modernes de construction de matrices d’expériences optimales aux modèles Free- Wilson.

0360 P. Cocagne, J. Elguero, R. Gallo, Heterocycles , 20 1379-1406 (1983) The Present Use And the Possibilities Of Phase Transfer Catalysis In Drug Synthesis.

0361 R. Faure, E.-J. Vincent, J. Elguero, Heterocycles , 20 1713-1716 (1983) 13 C NMR Study of Annular Tautomerism of Azoles in the Solid State.

0362 J. Catalán, P. Pérez, J. Elguero, Heterocycles , 20 1717-1720 (1983) Substituent Effects on Proton Affinities: Through Bonds or Through Space Mechanism.

0363 L. Avila, J. Elguero, S. Julià, J. M. del Mazo, Heterocycles , 20 1787-1792 (1983) N-Polyazolylmethanes. IV. Reaction of Benzotriazole with Methylene Chloride and Chloroform under Phase Transfer Conditions.

0364 Ch. B. Rao, P. V. N. Raju, R. Flammang, A. Maquestiau, J. Elguero, Heterocycles , 20 2385-2390 (1983) A Novel Heterocyclic Rearrangement: Conversion of Benzoyl -Pyrazolines into Phenylpyridazinones.

0365 E. Díez-Barra, C. Pardo, J. Elguero, J. Arriau, J. Chem. Soc., Perkin Trans. 2 , 1317-1320 (1983) 1,3-Dipolar Cycloaddition of Azolium Dicyanomethylides.

0366 J. Catalán, J. Elguero, J. Chem. Soc., Perkin Trans. 2 , ---- 1869-1874 (1983) Basicity of Azoles. Part 2. Theoretical Study of the Basicity of Methylpyrazoles and Methylimidazoles.

0367 R. M. Claramunt, J. Elguero, T. Meco, J. Heterocycl. Chem ., 20 1245-1249 (1983) N-Polyazolylmethanes. III. Synthèse et étude RMN du proton des dérivés du methylène-1,1'-diimidazole et du methylène-1,1'-dibenzimidazole.

0368 R. Faure, J.-P. Galy, E.-J. Vincent, A.-M. Galy, J. Barbe, J. Elguero, Spectrosc. Lett ., 16 431-439 (1983) A Carbon-13 NMR Study of the Structure of 9-Acridanone and 9-Thioacridanone in Neutral and Acidic Media.

0369 H. A. Rachid, C. Larrieu, M. Chaillet, J. Elguero,

27 Tetrahedron , 39 1307-1312 (1983) Etude théorique de l’acidité des hydrogènes du groupement méthyle en position α d’une fonction carbonyle. Application à la molécule d’acétaldehyde.

0370 A. de La Hoz, E. Díez-Barra, M. C. Pardo, J. P. Declercq, G. Germain, M. Van Meerssche, J. Elguero, Tetrahedron , 39 2193-2200 (1983) Comportement non aromatique d’azoles. I. Etude de la réaction des pyrazoles N-substitués avec les esters acetyléniques.

0371 R. Faure, J. Llinares, R. M. Claramunt, J. Elguero, Spectrosc. Int. J ., 2 381-392 (1983) Etude de la protonation des pyrazolines-2 par RMN du carbone 13.

Año 1984 (31 publicaciones)

0372 R. M. Claramunt, J. Elguero, D. Mathieu, R. Phan Tan Luu, An. Quim ., 80C 30-38 (1984) Which Aniline Choose for Qsar Studies?

0373 C. Cativiela, E. Meléndez, H. Calvete, J. Elguero, D. Mathieu, R. Phan Tan Luu, An. Quim ., 80C 91-97 (1984) Examen crítico de la aplicación del algoritmo de Kennard y Stone al diseño de experimentos.

0374 J.-P. Fayet, M.-C. Vertut, C. Cativiela, E. Meléndez, J. Elguero, Bull. Soc. Chim. Fr ., II 233-236 (1984) Etude théorique et expérimentale (dipolemetrie) de la structure des hydroxy-2 nicotinamides.

0375 A. Maquestiau, A. Tommasetti, C. Pedregal, J. Elguero, R. Flammang, Bull. Soc. Chim. Belg ., 93 1057-1067 (1984) Etude de la décarbonylation du 1-acétylimidazole et du 1-acétylpyrazole ionisés.

0376 A. Maquestiau, A. Tommasetti, C. Pedregal, J. Elguero, R. Flammang, Bull. Soc. Chim. Belg ., 93 1067-1072 (1984) Pyrolyse-Eclair en phase gazeuse du 1-acétylimidazole.

0377 M. L. Castellanos, S. Olivella, N. Roca, J. de Mendoza, J. Elguero, Can. J. Chem ., 62 687-695 (1984) N,N, -Linked Biazoles. III. MNDO Calculations on the Conformation of N,N -Linked Biazoles and Their Quaternary Salts.

0378 E. Alcalde, J. Elguero, Chem. Scripta , 23 195-201 (1984) Azido/Tetrazole Isomerism in Partially Saturated Bicyclic Systems.

0379 J. Catalán, J. L. G. de Paz, M. Yáñez, J. Elguero, Chem. Scipta , 24 84-91 (1984) The Azoles: A Theoretical Study.

0380 J. Elguero, P. Navarro, M. I. Rodríguez-Franco, Chem. Lett ., ---- 425-428 (1984) Synthesis of New Macrocyclic Polyether Di- or Tetraester Ligands Containing Pyrazole Units.

0381 J. Elguero, P. Goya, J. Lissavetzky, A. M. Valdeomillos, C. R. Acad. Sci ., 298 877-878 (1984) Sonochimie. I. Effet des ultrasons sur l’hydrolyse des nitriles.

0382 R. Díez-Barra, J. Elguero, C. Pardo, Heterocycles , 22 1335-1337 (1984) Reactions of 3-Dicyanomethyl-1-Ethylbenzotriazolium Ylide with Acetylenic Esters.

0383 A. Cuadro, J. Elguero, P. Navarro, E. Royer, A. Santos, Inorg. Chim. Acta , 81 99-105 (1984)

28 Cobalt (II) and Nickel (II) Coordination Compounds Derived from Tetramethyl-4,4'-Bis-1H-Pyrazole, 3,3',5,5'-Tetramethyl-4,4'-Methylene-Bis-1H-Pyrazole and 4,4'-Metylene-Bis-1H-Pyrazole.

0384 J. Catalán, J. L. G. de Paz, M. Yáñez, J. Elguero, J. Am. Chem. Soc ., 106 6552-6556 (1984) Relationship Between Substituent-Induced Energy and Charge Effects in Proton-Transfer Involving Heteroaromatic Nitrogen Systems. The "Lone Pair Charge" Approach.

0385 J. Elguero, M. Esteban, M. F. Grenier-Loustalot, L. A. Oro, M. T. Pinillos, J. Chim. Phys ., 81 251-254 (1984) Etudes RMN en série hétérocyclique. XXVI. Structure des complèxes du pyrazole avec le rhodium par la RMN du carbone-13 et du proton.

0386 R. M. Claramunt, J. Elguero, R. Faure, E. Elguero, J. Chim. Phys ., 81 413-417 (1984) Etude de sels de pyridinium par RMN du carbone-13 et de l’azote-14.

0387 P. Cabildo, R. M. Claramunt, J. Elguero, J. Heterocycl. Chem ., 21 249-251 (1984) Synthesis and Reactivity of New 1-(1-Adamantyl)pyrazoles.

0388 J. Catalán, J. Elguero, J. Heterocycl. Chem ., 21 269-270 (1984) Basicity of Azoles. IV. Empirical Relationships Between Basicity and Ionization Potential for Aromatic Five Membered Rings Containing Nitrogen or Oxygen.

9389 C. Pedregal, G. G. Trigo, M. Espada, J. Elguero, E.-J. Vincent, R. Faure, J. Heterocycl. Chem ., 21 477-480 (1984) Etude de quelques dérivés N-3-substitués et N1, N3-disubstitués de la cyclohexanospiro-hydantoïne.

0390 C. Pedregal, G. G. Trigo, M. Espada, D. Mathieu, R. Phan Tan Luu, C. Barcelo, J. Lamarca, J. Elguero, J. Heterocycl. Chem ., 21 1527-1531 (1984) Utilisation des plans factoriels fractionnaires pour l’étude de la réaction de Bucherer-Bergs: Synthèse de la cyclohexane- spirohydantoïne.

0391 E. Alcalde, L. Maños, N. Valls, J. Elguero, J. Heterocycl. Chem ., 21 1647-1651 (1984) Synthèse de dérivés du nitro-5 imidazole potentiellement actifs en chimiothérapie.

0392 J. Catalán, O. Mó, J. L. G. de Paz, M. Yáñez, J. Elguero, J. Org. Chem ., 49 4379-4386 (1984) Basicity of Azoles. 6. Calculated Intrinsic Basicities for Methyl-Substituted Pyrazoles and Imidazoles. Comparsison to Aqueous Solution Data: N-Methylation Effect.

0393 L. A. Oro, M. Esteban, R. M. Claramunt, J. Elguero, C. Foces-Foces, F. H. Cano, J. Organometal. Chem ., 276 79-97 (1984) Rhodium(I) Complexes with Bis(Pyrazolyl)methane Ligands. Crystal Structure of [Rh(COD) (CH 2(Pz) 2)]ClO 4. 1/2 C 2H4Cl 2.

0394 A. Fruchier, V. Pellegrin, R. M. Claramunt, J. Elguero, Org. Magn. Reson ., 22 473-475 (1984) 1 13 15 15 H, C and N NMR Spectra of (1,2- N2) Pyrazole Derivatives.

0395 P. Cabildo, R. M. Claramunt, J. Elguero, Org. Magn. Reson ., 22 603-607 (1984) 13 C-NMR Chemical Shifts of N-Unsubstituted- and N-Methylpyrazole Derivatives.

0396 R. Flammang, A. Maquestiau, J. Catalán, P. Pérez, J. Elguero, Org. Mass Spectrom ., 19 627-630 (1984) Basicity of Azoles. 5. Experimental Gas Phase Basicities Determined by Mass Spectrometry Towards Ab Initio Calculated Protonation Energies.

29 0397 S. Julià, J. M. del Mazo, L. Avila, J. Elguero, Org. Prep. Proc. Int ., 16 299-307 (1984) Improved Synthesis of Polyazolylmethanes under Solid-Liquid Phase-Transfer Catalysis.

0398 R. Usón, L. A. Oro, M. Esteban, D. Carmona, R. M. Claramunt, J. Elguero, Polyhedron , 3 213-221 (1984) Rhodium(I) Complexes with Pyridazine, 4,6-Dimethyl-Pyrimidine, 4,6-Bis (3,5-Dimethyl-pyrazol-1- yl)Pyrimidine, 3,6-Bis(3,5-Dimethylpyrazol-1-yl) Pyridazine and 3-(3,5-Dimethylpyrazol-1-yl)-6- Chloropyridazine.

0399 J. Elguero, Rev. Farm. Clin. Exp ., 1 13-15 (1984) Nuevos métodos para el diseño de fármacos.

0400 M. Bruix, R. M. Claramunt, J. Elguero, J. de Mendoza, C. Pascual, Spectrosc. Lett ., 17 757-763 (1984) The Assignment of Long-Range 13 C-1H Coupling Constants in Pyrazoles.

0401 J. Catalán, J. L. G. de Paz, M. Yáñez, J. Elguero, J. Mol. Struct. (Theochem) , 108 161-162 (1984) The Problem of The Relationship Between Proton Affinity (Intrinsic Basicity) and the Charge on the Basic Centre.

0402 P. Molina, A. Lorenzo, R. M. Claramunt, J. Elguero, Tetrahedron Lett ., 25 5427-5428 (1984) Fused Mesoionic Heterocycles: Synthesis of 1,2,4-Triazolo[4,3-b]-1,2,4-triazole Derivatives.

Año 1985 (32 publicaciones)

0403 R. Faure, J. Llinares, J. Elguero, An. Quim ., 81C 167-172 (1985) Etudes par RMN du carbone-13 de composés azotés. III. Déplacements chimiques induits par la protonation et la méthylation des amines.

0404 E. Díez-Barra, C. Pardo, J. Arriau, A. Fruchier, J. Elguero, Rev. Acad. Cien ., 79 303-309 (1985) Reacción del benzeno con óxido de tetracianetileno. I. Estructura del bisaducto y estudio teórico de su formación.

0405 J. L. Serrano, M. Marcos, E. Meléndez, C. Albano, S. Wold, J. Elguero, Acta Chem. Scand ., B39 329-341 (1985) Classification of Mesogenic Benzalazines by Multivariate Data Analysis.

0406 M. T. Nguyen, A. F. Hegarty, J. Elguero, Angew. Chem. Int. Ed. Engl ., 24 713-715 (1985) Can 1,2,3-Oxadiazole be Stable?

0407 M. Alajarín, P. Molina, A. Tarraga, M. J. Vilaplana, M. C. Foces, F. H. Cano, R. M. Claramunt, J. Elguero, Bull. Chem. Soc. Japan , 58 735-744 (1985) Aromatic Systems with 10 π Electrons Derived from 3a-Azapentalène. Part 40. Studies on the 1,2,4-Triazolo [4,3-b][1,2,4]-Triazole Series.

0408 R. M. Claramunt, J. Elguero, A. Fruchier, Bull. Soc. Chim. Belg ., 94 421-424 (1985) Réaction de l’indazole avec le chlorure de trityle: Identification par RMN du proton des isomerès 1-, 2- et 3- substitués.

0409 J. Catalán, M. Menéndez, J. Elguero, Bull. Soc. Chim. Fr ., ---- 30-33 (1985) On the Relationships Between Basicity and Acidity in Azoles.

0410 A. M. Cuadro, J. Elguero, P. Navarro,

30 Chem. Pharm. Bull ., 33 2535-2540 (1985) Binuclear Pyrazoles. I. Synthesis and Cytotoxic Activity of 1,1'-Dibenzyl and 1,1'-Dihydroxymethyl-4,4'- Bispyrazoles.

0411 M. Alajarín, P. Molina, M. J. Pérez de Vega, M. C. Foces-Foces, F. H. Cano, R. M. Claramunt, J. Elguero, Chem. Scripta , 25 230-238 (1985) Aromatic Systems with 10 π Electrons Derived from 3a-Azapentalène. Part 42. Research in the Pyrazolo[5,1- c]-1,2,4-Triazole Séries.

0412 M. E. Gonzalez, B. Alarcón, P. Cabildo, R. M. Claramunt, D. Sanz, J. Elguero, Eur. J. Med. Chem ., 20 359-362 (1985) Synthesis and in vitro Antiviral Activity of Some N-Adamantylazoles and Benzazoles.

0413 J. Cañada, R. M. Claramunt, J. de Mendoza, J. Elguero, Heterocycles , 23 2225-2228 (1985) On the Possibility of Chlorotropy in Aromatic Azoles: The Case of 1,2,3-Triazoles and Benzotriazoles.

0414 J. de Mendoza, M. R. Gonzalez-Muñiz, M. R. Martín, J. Elguero, Heterocycles , 23 2619-2628 (1985) N,N' -Linked Biazoles. Part 5. Synthesis of Pyrazole Dimers by the Reaction of 3-Methoxycarbonyl-2- Pyrazoline with Lead Tetraacetate.

0415 J. de Mendoza, P. Prados, J. Elguero, Heterocycles , 23 2629-2634 (1985) N,N' -Linked Biazoles. Part 6. On the Structure of Compounds Derived from the Oxidation of 7-Methyl- 4,5,6,7-Tetrahydroindazole.

0416 R. V. Venkataratnam, J. Elguero, Heterocycles , 23 2779-2782 (1985) The Reaction between Benzotriazole and Diarylnitrileimines.

0417 R. M. Claramunt, J. Elguero, R. Garcerán, Heterocycles , 23 2895-2906 (1985) Synthesis by Phase Transfer Catalysis of N-Benzyl, N-Diphenylmethyl and N-Triphenyl-methyl Azoles and Benzazoles: Proton NMR and Chromatographic Data as a Tool for Identification.

0418 N. Valls, A. Marín, E. Alcalde, J. Elguero, Il Farmaco, Ed. Sci ., 40 34-48 (1985) Aromatic Systems with 10 π Electrons Derived from 3a-Azapentalène . XLI. Synthesis of Carbamate Derivatives of Imidazo [2,1-b] Thiazole, Imidazo [2,1-b] [1,3,4] Thiadiazole.

0419 A. Baldy, J. Elguero, R. Faure, M. Pierrot, E.-J. Vincent, J. Am. Chem. Soc ., 107 5290-5291 (1985) Dynamic Intermolecular Tautomerism of 3,5-Dimethylpyrazole in the Solid State by 13 C CP/MAS NMR Spectroscopy and X-Ray Crystallography.

0420 J. Elguero, P. Navarro, M. I. Rodríguez-Franco, F. H. Cano, M. C. Foces-Foces, A. Samat, J. Chem. Res ., M 3401-3409 (1985) 19-Methyl-3,6,9,12,15-pentaoxa-19,20-diazabicyclo (15.2.1) icosa-1(20),17-diene-2,6-dione, a Pyrazolic Crown Ether: Crystal Structure, Alkali Metal Transport Properties, and Complexing Ability Towards Lanthanide Shift Reagents.

0421 A. Samat, M. E. M. Bibout, J. Elguero, J. Chem. Soc., Perkin Trans. 1, ---- 1717-1723 (1985) Binding and Transport of Alkali Metal Ions by Synthetic Analogues of Nactins.

0422 J. Elguero, A. de la Hoz, C. Pardo, J. Chem. Soc., Perkin Trans. 2, ---- 427-431 (1985) On the Reaction of 3,5-Dimethylpyrazole with Acetylenic Esters.

0423 N. Valls, V. M. Segarra, E. Alcalde, A. Marin, J. Elguero, J. Prakt. Chem ., 327 251-260 (1985)

31 Synthesis, Spectroscopy and Tautomeric Study of Thiazoles Substituted in Positions 2 and 4 by Hydroxy, Mercapto and Amino Groups.

0424 J. Catalán, M. Menéndez, J. Laynez, R. M. Claramunt, M. Bruix, J. de Mendoza, J. Elguero, J. Heterocycl. Chem ., 22 997-1000 (1985) Basicity of Azoles. VII. Basicity of C -Aminopyrazoles in Relation to Tautomeric and Protonation Studies.

0425 M. Begtrup, J. Elguero, E. Díez-Barra, M. C. Pardo, Magn. Reson. Chem ., 23 111-115 (1985) NMR Studies in the Heterocyclic Séries. XXV. 13 C NMR Spectra of Some Azole Dicyanomethylides.

0426 M. E. M. Bibout, A. Samat, R. Faure, J. Elguero, Magn. Reson. Chem ., 23 137-138 (1985) Carbon-13 NMR Study of Some New Macrocycles. 13 C Chemical Shifts of Nactin Antibiotic Models.

0427 M. Bruix, J. de Mendoza, R. M. Claramunt, J. Elguero, Magn. Reson. Chem ., 23 367-374 (1985) NMR Studies in The Heterocyclic Séries. 27. Carbon-13 NMR Determination of the Protonation Site of Aminopyrazoles in Trifluoroacetic Acid.

0428 A. T. Balaban, A. Dinculescu, J. Elguero, R. Faure, Magn. Reson. Chem ., 23 553-558 (1985) Carbon-13 NMR Studies of Primary Amines and Their Corresponding 2,4,6-Trimethyl-pyridinium Salts.

0429 M. T. Nguyen, M. A. McGinn, A. F. Hegarty, J. Elguero, Polyhedron , 4 1721-1726 (1985) - Can the Pentazole Anion (N 5 ) Be Isolated and/or Trapped in Metal Complexes?

0430 R. Rubio, C. Pedregal, M. Espada, J. Elguero, Synthesis , ---- 307-309 (1985) Synthesis of New Condensed 2(3 H)-Imidazolinones from Cycloalkane-Spirohydantoins.

0431 P. Cabildo, R. M. Claramunt, D. Sanz, M. C. Foces-Foces, F.H. Cano, J. Catalán, J. Elguero, Tetrahedron , 41 473-478 (1985) Structure of 1-(1-Adamantyl)Pyrazoles. Crystal Geometry and Carbon-13 NMR Spectroscopy.

0432 P. Ballesteros, R.M. Claramunt, J. Elguero, Tetrahedron , 41 5955-5963 (1985) Reactivity of Azoles Towards Benzaldehyde and its Dimethylacetal. Synthesis of N,N ’- Diazolylphenylmethanes.

0433 A. de la Hoz, M. C. Pardo, J. Elguero, Tetrahedron Lett ., 26 3869-3870 (1985) A New Heterocyclic Rearrangement: Conversion of 2-Vinylpyrazolium Salts into 1,2-Dihydropyridines.

0434 R. M. Claramunt, P. Cabildo, D. Sanz, J. Elguero, Spectrosc. Int. J ., 4 109-114 (1985) NMR Studies in the Heterocyclic Séries. XXIX. Carbon-13 NMR Spectra of 1-(1-Adamantyl)-Azoles and - Benzazoles.

Año 1986 (24 publicaciones)

0435 H. Balli, R. M. Claramunt, J. Elguero, R. Faure, An. Quim ., 82C 57-60 (1986) Etude par RMN du carbone-13 de sels d’azidinium dérivés de la pyridine, quinoleine, benzimidazole, thiazole et benzothiazole.

0436 R. M. Claramunt, J. Elguero, R. Faure, J.-P. Galy, An. Quim ., 82C 61-64 (1986) Systèmes aromatiques à 10 electrons π dérivés de l’aza-3a pentalène. XLIII. Etude par RMN du carbone-13 du site de protonation des azides hétérocycliques.

32 0437 R. M. Claramunt, J. Elguero, An. Quim ., 82C 162-164 (1986) Estudios RMN en série heterociclica. XXVIII. Desplazamientos químicos de carbono-13 de sales cuaternarias de imidazolio y de bencimidazolio.

0438 D. Carmona, L. A. Oro, P. Lamata, J. Elguero, M. C. Apreda, M. C. Foces-Foces, F. H. Cano Angew. Chem. Int. Ed. Engl ., 25 1114-1115 (1986) Prototropism in (Pentamethylcyclopentadienyl)Iridium Complexes with Pyrazole Ligands.

0439 J. Elguero, A. Fruchier, Bull. Soc. Chim. Belg ., 95 73-74 (1986) Etude par RMN du proton a haut champ des méthyl-4 pyrazolines-2.

0440 J. Catalán, J. L. G. de Paz, M. Sánchez-Cabezudo, J. Elguero, Bull. Soc. Chim. Fr ., ---- 429-435 (1986) Etude de la tautomérie annulaire du pyrrole, de l’imidazole et du pyrazole.

0441 E. Alcalde, I. Dinares, J.-P. Fayet, M.-C. Vertut, J. Elguero, Chem. Commun ., ---- 734-735 (1986) Synthesis of Highly Dipolar Betaines: Pyridinium Azolates.

0442 J. Elguero, A. de la Hoz, C. Pardo, Croat. Chem. Acta ., 59 153-163 (1986) Base-Catalyzed Rearrangement of 2-Vinylpyrazolium Salts into 1,2-Dihydropyrimidines.

0443 C. Cativiela, J. I. García Laureiro, J. Elguero, Gazz. Chim. Ital ., 116 119-125 (1986) Statistical Analysis of Electronic Absorption Spectra of Pyrazoles. I. N-Unsubstituted Pyrazoles with Identical Substituents at Positions 3 and 5.

0444 S. Julià, C. M. Martorell, J. Elguero, Heterocycles , 24 2233-2237 (1986) A Selective Synthesis of Unsymmetrical 1,1’-Methylene-Bisazoles by Solid-Liquid Phase Transfer Catalysis.

0445 A. de la Hoz, C. Pardo, J. L .G. de Paz, E. Díez-Barra, J. Elguero, Heterocycles , 24 3473-3476 (1986) Pyrimidinium N-Dicyanomethylide. Synthesis and Reactivity Towards Dimethyl Acetylenedicarboxylate.

0446 R. W. Taft, F. Anvia, M. Taagepera, J. Catalán, J. Elguero, J. Am. Chem. Soc ., 108 3237-3239 (1986) Electrostatic Proximity Effects in the Relative Basicities and Acidities of Pyrazole, Imidazole, Pyridazine, and Pyrimidine.

0447 F. Gago, J. Alvarez-Builla, J. Elguero, J. Chromatogr ., 360 247-251 (1986) Use of Droplet Counter-Current Chromatography in Log P Determinations.

0448 C. Avendaño, E. Gómez-Molinero, C. Pascual, J. Elguero, J. Chem. Res ., S 78-79 (1986) The Tautomerism of Diphenyl- 5(4)-Phenyl-1H-1,2,3-Triazol-4(5)-yl Methanol. A Carbon-13 Nuclear Magnetic Resonance Study.

0449 P. Molina, M. Alajarín, J. R. Sáez, M. C. Foces-Foces, R. M. Claramunt, J. Elguero, J. Chem. Soc., Perkin Trans. 1, ---- 2037-2049 (1986) Iminophosphorane-Mediated Synthèses of [1,2,4]Triazolo[5,1-c][1,2,4]-triazines.

0450 P. Ballesteros, J. Elguero, R. M. Claramunt, R. Faure, M. C. Foces-Foces, F. H. Cano, A. Rousseau, J. Chem. Soc., Perkin Trans. 2, ---- 1677-1681 (1986) The Structure of Indazolinone and Derivatives in the Solid State.

0451 L. Salazar, J. Rubio, M. Espada, C. Pedregal, G. Trigo, J. Elguero, J. Heterocycl. Chem ., 23 481-485 (1986)

33 Chemical Reactions of Cycloalkanespirohydantoins. Part 2. Synthesis of New 4-Hydroxyimidazolinone N- Substituted from Cycloalkane-Spirohydantoins.

0452 C. Pedregal, M. Espada, L. Salazar, J. Elguero, J. Heterocycl. Chem ., 23 487-489 (1986) Chemical Reactions of Cycloalkanespirohydantoins. Part 3. Acid-Catalyzed Reaction of 4-Hydroxy-2- Imidazolines. Preparation of Bis(1,3-Diaza-2-Oxospiro-4,5-decyl-4) Ether.

0453 E. Gonzalez, J. Elguero, J. Heterocycl. Chem ., 23 999-1001 (1986) Action des hydrazines sur les acétyl-4 chloro-5 (ou 3) pyrazoles: Formation d’une pyrazolo [3,4-b]quinoléine.

0454 P. Cabildo, R. M. Claramunt, D. Sanz, M. C. Foces-Foces, F. H. Cano, J.-P. Fayet, M.-C. Vertut, J. Elguero, J. Heterocycl. Chem ., 23 1045-1050 (1986) Adamantylazoles. 5. The Molecular Structure of 1-(1-Adamantyl) Pyrazoles.

0455 A. Maquestiau, A. Tommasetti, C. Pedregal-Freire, J. Elguero, R. Flammang, U.E. Wiersum, H. Bender, C. Wentrup, J. Org. Chem ., 51 306-309 (1986) Diazafulvenones. Thermal Isomerizations and Eliminations in Alkoxycarbonyl and Anilinocarbonyl Derivatives of Imidazole.

0456 R. Faure, J. Llinares, J. Elguero, Magn. Reson. Chem ., 24 551-552 (1986) 13 C NMR Study of N-Alkyl or Aryl Pyrazolinium Salts.

0457 P. Molina, A. Lorenzo, R. M. Claramunt, J. Elguero, Tetrahedron , 42 2121-2128 (1986) Preparation and Reactivity of Mesoionic 1,2,4-Triazolo-[4,3-b]-1,2,4-Triazole Derivatives.

0458 J. de Mendoza, S. García-Ochoa, P. Prados, E. Parra, J. Elguero, Tetrahedron , 42 2377-2386 (1986) N,N' -Linked Biazoles. Part 7. Oxidative Dimerization of N-Unsubstituted Tetrahydro-indazolones.

Año 1987 (30 publicaciones)

0459 J. Elguero, Afinidad , 44 15-19 (1987) Presente y futuro de la química orgánica.

0460 C. Cativiela, J. I. García, J. Elguero, An. Quím ., 83C 278-282 (1987) Aplicacion de los modelos de Free-Wilson en espectroscopía. Una reevaluación del sistema de aditividad de Tensmeyer en 1H-RMN de pyrazoles.

0461 F. Gago, J. Alvarez-Builla, J. Elguero, J. C. Díez-Masa, Anal. Chem ., 59 921-923 (1987) Correlation of Octanol-Water Partition Coefficients with Hydrophobicity Measurements Obtained by Micellar Chromatography.

0462 B. Mester, J. Elguero, R. M. Claramunt, S. Castanys, M. L. Mascaró, A. Osuna, M. J. Vilaplana, P. Molina, Arch. Pharm ., 320 115-120 (1987) Activity Against Trypanosoma Cruzi of New Analogues of Nifurtimox .

0463 R. Faure, J. Llinares, J. Elguero, P. Goya, Bull. Soc. Chim. Belg ., 96 603-617 (1987) Effet des substituants aromatiques en RMN du carbone-13: extention du modele de Smith et Proulx aux composes hétérocycliques et analyse statistique des résultats.

0464 E. Gonzalez, E. Alcalde, I. Dinarés, J. Elguero, Bull. Soc. Chim. Fr ., ---- 604-606 (1987) Etude des proprietés acide-base de betaines d’azolate-pyridinium.

34 0465 F. Toda, K. Tanaka, J. Elguero, L. Nassimbeni, M. Niven, Chem. Lett ., ---- 2317-2320 (1987) Freezing of Equilibrium of 1,2,4-Triazole by Complex Formation with 1,1-Di(2,4-dimethylphenyl)but-2-yn-1- ol.

0466 J. Elguero, R. M. Claramunt, Y. Shindo, M. Mukai, C. Roussel, A. Chemlal, A. Djafri, Chem. Scripta , 27 283-288 (1987) Chemical Behaviour of ∆2-Pyrazolines in Acidic Media: Protonation, Cis-Trans Isomerization, and C5 Epimerization.

0467 G. Guiheneuf, K. Sraidi, R. M. Claramunt, J. Elguero, C. R. Acad. Sci ., 305 567-569 (1987) Acidité et basicité par liaison hydrogene de pyrazoles non-substitués sur l’azote.

0468 R. M. Claramunt, D. Sanz, J. Elguero, J. Alvarez-Builla, F. Gago, Il Farmaco, Ed. Sci ., 42 915-919 (1987) The π value of 1-Adamantyl Substituent: An HPLC Study.

0469 R. Faure, E.-J. Vincent, A. Rousseau, J. Elguero, Heterocycles , 26 333-336 (1987) Solid State Behaviour of "Dynamic Compounds": A 13 C CP/MAS NMR Spectroscopy Study.

0470 J. M. Alonso, M. R. Martín, J. de Mendoza, T. Torres, J. Elguero, Heterocycles , 26 989-1000 (1987) Proton-Ionizable Macrocycles Containing 1,2,4-Triazole and 4-Amino-1,2,4-Triazole Subunits.

0471 C. Acerete, J. Catalán, F. Fabero, M. Sánchez-Cabezudo, R. M. Claramunt, J. Elguero, Heterocycles , 26 1581-1586 (1987) Structure and Basicity of 2-Guanidinobenzimidazoles.

0472 A. de la Hoz, C. Pardo, J. Elguero, J. Chem. Res ., S 240-241 (1987) Reaction of N-unsubstituted Azoles with Benzonitrile Oxide: Formation of Oximes of N-Benzoyl Azoles.

0473 P. Molina, M. Alajarín, M. J. Pérez de Vega, M. C. Foces, F. H. Cano, R. M. Claramunt, J. Elguero, J. Chem. Soc. Perkin Trans. 1, ---- 1853-1860 (1987) Synthesis of 6,7-Dihydro-5H-1,2,4-Triazolo [3,4-b][1,3,4]thiadiazines by a C-C Ring Cyclization under Mild Conditions.

0474 T. Ramos, C. Avendaño, J. Elguero, J. Heterocycl. Chem ., 24 247-249 (1987) Reactivity of Aryl- and Heteroarylmalonates against ortho -Dinucleophiles. Triaryl(heteroaryl) Methane Synthesis.

0475 F. Gago, J. Alvarez-Builla, J. Elguero, J. Liq. Chromat ., 10 1031-1047 (1987) Hydrophobicity Measurements by HPLC: A New Approach to π Constants.

0476 O. Mó, M. Yáñez, J. Elguero, J. Org. Chem ., 52 1713-1720 (1987) + + Binding of NH 4 to Azoles in the Gas Phase. A Theoretical Study of The N···H···N Ionic Hydrogen Bond.

0477 E. Alcalde, I. Dinares, J. Elguero, J.-P. Fayet, M.-C. Vertut, C. Miravilles, E. Molins, J. Org. Chem ., 52 5009-5015 (1987) Azinium Azolate Inner Salts: Synthesis and Structural Studies.

0478 J. Elguero, Noticies Per A Quimics , 291 19-20 (1987) Fuentes actuales y futuras de nuevos fármacos desde el punto de vista químico-estructural.

0479 C. Cativiela, J. Elguero, J. I. García, D. Mathieu, QSAR Drug Design Toxicol ., ---- 55-57 (1987) 35 The Search of Heterocyclic Descriptors: Free-Wilson Models.

0480 C. Cativiela, J. I. García, J. Elguero, D. Mathieu, R. Phan Tan Luu, Quant. Struct.-Act. Relat ., 6 173-178 (1987) Description of Heterocyclic Substituents: A Free-Wilson Type Approach Using D-Optimal Design.

0481 J. Elguero, R. M. Claramunt, R. Garcerán, S. Julià, L. Avila, J. M. del Mazo, Magn. Reson. Chem ., 25 260-268 (1987) 13C NMR Study of Polyphenyl-, Poly-N-Azolyl- And Poly-N-Benzazolylmethanes.

0482 B. Mester, R. M. Claramunt, J. Elguero, Magn. Reson. Chem ., 25 737-739 (1987) NMR Studies in the Heterocyclic Séries. XXX. Carbon-13 NMR Study of 5-Nitrofurfural Derivatives.

0483 J. Elguero, R. Faure, J. Llinares, Spectrosc. Lett ., 20 149-157 (1987) 15 N NMR Spectroscopy of Pyrazolines-2 and Their Salts.

0484 D. Sanz, R. M. Claramunt, J. Elguero, S.T.P. Pharma , 7 552-555 (1987) Studies on Adamantyl Derivatives of Allopurinol .

0485 P. Molina, M. Alajarín, C. López-Leonardo, J. Elguero, R. M. Claramunt, Tetrahedron , 43 791-797 (1987) Ring-Opening Reaction of the 1,3-Diazetidine Ring: Hydrazinolysis of 2,4-Bis(heteroaryl-imino)-1,3- diazetidine Derivatives.

0486 P. Ballesteros, R. M. Claramunt, J. Elguero, Tetrahedron , 43 2557-2564 (1987) Study of the Catalytic Properties of Tris-(3,6-dioxaheptyl)amine (TDA-1) in Heteroaromatic Nucleophilic Substitution of Chloropyridines and Their N-Oxides.

0487 M. Bruix, J. de Mendoza, J. Elguero, Tetrahedron , 43 4663-4668 (1987) The 1H and 13 C NMR Rules for the Assignment of 1,3- and 1,5-Disubstituted Pyrazoles: A Revision.

0488 J. Elguero, C. Jaime, M. Marcos, E. Meléndez, F. Sanchez-Ferrando, J. L. Serrano, J. Mol. Struct. (Theochem) , 150 1-15 (1987) Structural Studies of Mesogen Benzalazine Derivatives. Part I. Semiempirical MO Calculations (CNDO/2, MNDO) on Intramolecular H-Bond and Vicinal Interactions.

Año 1988 (38 publicaciones)

0489 P. Ballesteros, R. M. Claramunt, J. Elguero, An. Quim ., 84C 53-54 (1988) An Improved Synthesis of 2-Chloro-3-Methoxy-4-Nitropyridine N-Oxyde, Intermediate for the Preparation of Orellanine.

0490 J. Elguero, B. Shimizu, An. Quim ., 84C 176-182 (1988) Etudes en chimie hétérocyclique. VII. Synthèses d’hétérocycles à partir de la (+)-methyl-3-cyclohexanone.

0491 J. Elguero, B. Shimizu, An. Quim ., 84C 183-190 (1988) Etudes en chimie hétérocyclique. VIII. Synthèses d’hétérocycles à partir de la menthone.

0492 J. Elguero, B. Shimizu, An. Quim ., 84C 191-195 (1988) Etudes en chimie hétérocyclique. IX. Synthèses d’hétérocycles à partir de l’isopinocamphone.

0493 J. Elguero, B. Shimizu, An. Quim ., 84C 196-197 (1988) 36 Etudes en chimie hétérocyclique. X. Synthèses d’hétérocycles à partir du camphre.

0494 J. Elguero, B. Shimizu, An. Quim ., 84C 198-202 (1988) Etudes en chimie hétérocyclique. XI. Synthèses d’hétérocycles à partir de la (+)-pulégone. Synthèse de la fabianine.

0495 J. Elguero, P. Goya, A. Martínez, I. Rozas, An. Quim ., 84C 285-289 (1988) Síntesis Orgánica Simulada: Aplicacion a la síntesis de pirazoles.

0496 O. Keltoum Kabbaj-Tazi, M. Lhamyani-Chraibi, J. Arriau, M. Gelize-Duvigneau, E. Elguero, J. Elguero, An. Quim ., 84C 317-322 (1988) The Stereoelectronic Control: A Semi-Empirical Approach.

0497 C. de Diego, C. Avendaño, A. Alcina, L. Carrasco, J. Elguero, Ann. Tropical Med. Parisitol ., 82 235-241 (1988) Effect of Heterocyclic Analogues of Triphenylmethane Dyes Against Trypanosoma Cruzi .

0498 F. H. Cano, M. C. Foces-Foces, J. Elguero, Acta Crystallogr ., Ser. C C44 919-921 (1988) The Structure and Absolute Configuration of Acetomycin .

0499 J. Elguero, P. Goya, A. Martínez, Bull. Soc. Chim. Belg ., 97 867-872 (1988) Application of Experimental Design Methodology to the Study of the Synthesis of Nucleosides.

0500 M. C. Foces-Foces, F. H. Cano, R. M. Claramunt, A. Fruchier, J. Elguero, Bull. Soc. Chim. Belg ., 97 1055-1065 (1988) Molecular Structure in the Solid State and in Solution of Nifurtimox and Two Pyrazol-1-yl Analogs.

0501 J.-L. Aubagnac, F. H. Cano, R. M. Claramunt, J. Elguero, R. Faure, M. C. Foces-Foces, P. Raj, Bull. Soc. Chim. Fr ., ---- 905-908 (1988) + - The Structure of Salts (C 6H5)4 M , (C 6H5)4 B Where M is P, As or Sb.

0502 R. Faure, E.-J. Vincent, A. Rousseau, R. M. Claramunt, J. Elguero, Can. J. Chem ., 66 1141-1146 (1988) High Resolution 13 C Nuclear Magnetic Resonance Spectra of Solid Pyrazoles. Application to Annular Tautomerism.

0503 C. Avendaño, M. T. Ramos, J. Elguero, M. L. Jimeno, J. Bellanato, F. Florencio, Can. J. Chem ., 66 1467-1473 (1988) Tautomerism of Bis(2-benzothiazolyl)methanes.

0504 F. Toda, K. Tanaka, J. Elguero, Z. Stein, I. Goldberg, Chem. Lett ., ---- 1061-1064 (1988) Freezing of Equilibrium of 1,2,3-Triazole and 3(5)-Methylpyrazole by Complex Formation with 1,1-Bis(2,4- dimethylphenyl)but-2-yn-1-ol, and X-Ray Crystal Structure of the Complexes.

0505 P. Ballesteros, R. M. Claramunt, M. C. López, J. Elguero, G. Gómez-Alarcón, Chem. Pharm. Bull ., 36 2036-2041 (1988) Synthesis and Antifungal Properties of Some N,N ’-Bisazolarylmethanes.

0506 C. de Diego, C. Avendaño, J. Elguero, Chem. Scripta , 28 403-409 (1988) Heteroaromatic Analogues of Triarylmethane Dyes.

0507 P. Ballesteros, R. M. Claramunt, J. Elguero, M. C. L. Gallego-Preciado, C. Roussel, A. Chemlal, Heterocycles , 27 351-356 (1988) Enantiomeric Resolution of 3,3’-Dimethyl-4,4’-dibromo-1,1’-bispyrazolylphenylmethane by L.C. on TAC.

0508 J. Catalán, R. M. Claramunt, J. Elguero, J. Laynez, M. Menéndez, F. Anvia, J. H. Quian, R. W. Taft,

37 J. Am. Chem. Soc ., 110 4105-4111 (1988) Basicity and Acidity of Azoles: The Annelation Effect in Azoles.

0509 F. Gago, J. Alvarez-Builla, J. Elguero, J. Chromatogr ., 449 95-101 (1988) Group Contributions to Hydrophobicity and Elution Behaviour of Pyridine Derivatives in Reverse-Phase HPLC.

0510 J. Elguero, P. Goya, R. Nieves, C. Ochoa, C. Rodellas, M. Martínez-Ripoll, S. García-Blanco, J. Chem. Res ., M 873-894 (1988) Proton and 13 C NMR and Crystallographic Study of Substituted 1,2,6-Thiadiazinones: Comparison with Pyrazoles.

0511 J. Elguero, M. L. Jimeno, R. Nieves, C. Ochoa, A. Alemany, J. Chem. Soc., Perkin Trans. 2 , ---- 859-863 (1988) Tautomerism of Substituted 2 H-1,2,6-Thiadiazin-3-one 1,1-Dioxides: 1H, 13 C and 15 N NMR Studies.

0512 A. de la Cruz, J. Elguero, P. Goya, A. Martínez, J. Heterocyl. Chem ., 25 225-229 (1988) Synthesis and Spectroscopic Properties of N-Azolylpropanamides.

0513 J. Torres, J. L. Lavandera, P. Cabildo, R. M. Claramunt, J. Elguero, J. Heterocycl. Chem ., 25 771-782 (1988) Synthesis and Physicochemical Studies on 1,2-Bisazolylethanes.

0514 J. Elguero, P. Goya, J.A. Páez, M. C. Foces-Foces, F. H. Cano, M. Martínez-Ripoll, J. Mol. Struct ., 172 423-431 (1988) The X-Ray Structure of 4-Amino-7,8-Dioxido-5,6,7,8-Tetrahydro-1H-Pyrazino [2,3-c] 1,2,6-Thiadiazine-2,2- Dioxide.

0515 J.-L. M. Abboud, J. Catalán, J. Elguero, R. W. Taft, J. Org. Chem ., 53 1137-1140 (1988) Polarizability Effects on the Aqueous Solution Basicity of Substituted Pyridines.

0516 M. A. Esteruelas, L. A. Oro, M. C. Apreda, M. C. Foces-Foces, F. H. Cano, R. M. Claramunt, C. López, J. Elguero, M. Begtrup, J. Organometal. Chem . 344 93-108 (1988) Tris(pyrazol-1-yl)methane Rhodium(I) and Iridium(I) Complexes: Crystal Structure.

0517 M. Begtrup, J. Elguero, R. Faure, P. Camps, C. Estopá, D. Ilávsky, A. Fruchier, C. Marzin, J. de Mendoza, Magn. Reson. Chem. 26 134-151 (1988) Review: Effect of N-Substituents of the 13 C NMR Parameters of Azoles.

0518 J. Elguero, E. Arribas, S. Vega, Spectrosc. Int. J. 6 259-268 (1988) A Carbon-13 NMR Study of Thiophene Analogs of the Antipsychotic Agent Taclamine .

0519 J. Elguero, R. M. Claramunt, A. Fruchier, Spectrosc. Int. J. 6 295-300 (1988) The Tautomerism of 2-Perimidinone: A Reappraisal.

0520 J.-P. Galy, R. Faure, J. Barbe, J. Elguero, Spectrosc. Lett. 21 809-818 (1988) A 13 C NMR Study of Some 9-Aminoacridines and Their Cations in Relation with Tautomeric Problems.

0521 P. Molina, M. Alajarín, A. Vidal, J. Elguero, R. M. Claramunt, Tetrahedron , 44 2249-2259 (1988) Iminophosphorane-Mediated Synthesis of Fused 1,2,4-Triazines: 1,2,4 Triazino[4,3-b] [1,2,4,5] Tetrazine System.

0522 C. Foces-Foces, F. H. Cano, P. Molina, M. Alajarín, M. J. P. de Vega, J. Palazón, R. M. Claramunt, J. Elguero, Tetrahedron , 44 5117-5130 (1988) 38 Host-Guest Compounds. X-Ray Structure, DSC, and Thermogravimetry of Inclusion Compounds.

0523 J. D. Pérez, G. I. Yranzo, M. A. Ferraris, R. M. Claramunt, C. López, J. Elguero, Tetrahedron , 44 6429-6434 (1988) FVP of Bis- and Tris-(Pyrazol-1-yl)methane. A Radical Reaction.

0524 J. Catalán, J. L. G. de Paz, J. Elguero, I. Rozas, J. Mol. Struct. (Theochem) 164 335-342 (1988) Ab Initio Calculations of Amidosulfurous Acid.

0525 J. Catalán, M. Sánchez-Cabezudo, J. L. G. de Paz, J. Elguero, J. Mol. Struct. (Theochem) 166 415-429 (1988) Acidity and basicity of Azoles: Solvent Effects.

0526 J. Catalán, J. L. G. de Paz, M. C. Foces-Foces, F. H. Cano, J. Elguero, J. Mol. Struct. (Theochem) 181 61-70 (1988) A Theoretical Study of N-Oxides (H 3NO), N-Imines (H 3NNH) and N-Ylides (H 3NCH 2).

Año 1989 (32 publicaciones)

0527 M. T. Ramos, J. Elguero, C. Avendaño, An. Quim. 85C 63-65 (1989) Alquilación de di-2-benzotiazolilmetanos.

0528 J. Elguero, J. M. García-Antón, P. Goya, I. Haro, A. Martínez, F. Reig, Arzneim.-Forsch . 39 835-838 (1989) Conformation-Activity Relationship in Hexapeptides Related to Substance P.

0529 C. Avendaño, C. de Diego, J. Elguero, Bull. Soc. Chim. Belg . 98 73-76 (1989) 1,3-Dimethylindole: NMR Spectroscopy and Reactivity Towards Ethyl Carbonate in the Presence of Ethyl Lithium.

0530 J. D. Pérez, G. I. Yranzo, J. Elguero, R. M. Claramunt, R. Garcerán, Bull. Soc. Chim. Belg . 98 349-354 (1989) FVP Interconversion of 1-, 2- and 3-Tritylindazoles.

0531 M. T. Ramos, C. Avendaño, J. Elguero, M. L. Jimeno, Bull. Soc. Chim. Belg ., 98 497-501 (1989) Photo-Oxidation of Some Di-2-benzothiazolylmethane Derivatives.

0532 R. M. Claramunt, P. Domiano, J. Elguero, J. L. Lavandera, Bull. Soc. Chim. Fr. --- 472-476 (1989) Recherches dans la série des azoles. CII. Complexes de bis (pyrazolyl-1)-1,2-éthane et de bis(imidazolyl-1)- 1,2-éthane.

0533 J. Elguero, P. Goya, A. Martínez, I. Rozas, Chem. Ber ., 122 919-924 (1989) On the Tautomerism of 2-Phenacyl-4-pyrimidinones and Related Compounds.

0534 I. Alkorta, J. Elguero, P. Goya, C. Roussel, Chromatographia , 27 77-81 (1989) Energy Calculations and Computer Modelling of Chromatographic Separation on MCT.

0535 O. Mó, J. L. G. de Paz, M. Yáñez, I. Alkorta, J. Elguero, P. Goya, I. Rozas, Can. J. Chem ., 67 2227-2236 (1989) A Molecular Orbital Study of the Conformation and Electronic Properties of Sulfamide.

0536 C. Cativiela, J. I. García, A. Marín, N. Valls, J. Elguero, Il Farmaco , 44 671-682 (1989) Molecular Electrostatic Potential-Antihelmintic Activity Relationships of 5 H-Mebendazol e.

39 0537 E. Alcalde, L. Maños, I. Dinares, N. Valls, J. A. Escario, J. Elguero, Il Farmaco , 44 1095-1107 (1989) New Derivatives of 5-Nitroimidazole: Synthesis and Antiparasitic Activity.

0538 C. Cativiela, J. A. Galvez Lafuente, J. I. García Laureiro, J. Elguero, Gazz. Chim. Ital ., 119 41-46 (1989) Statistical Analysis of Electronic Absorption Spectra of Pyrazoles. II. N-Methylpyrazoles and N-Unsubstituted Pyrazoles with Different Substituents at Positions 3 and 5.

0539 M. T. Ramos, C. Avendaño, J. Elguero, M. L. Jimeno, Heterocycles , 29 165-180 (1989) Tautomerism of Bis(2-Benzothiazolyl)arylmethanes.

0540 J. Elguero, P. Goya, A. Martínez, Heterocycles , 29 245-248 (1989) Ring Transformation of 1,2,6-Thiadiazine 1,1-Dioxides into Pyrazoles. A Convenient Synthesis of N- Alkylsulfamides.

0541 A. de la Hoz, J. Elguero, C. Pardo, Heterocycles , 29 1951-1956 (1989) A New Heterocyclic Rearrangement: Conversion of 1,2-Dihydropyrimidines into Pyrroles.

0542 P. Molina, M. Alajarín, C. L. Leonardo, R. M. Claramunt, C. Foces, J. Catalán, J. L. G. de Paz, J. Elguero, J. Am. Chem. Soc ., 111 355-363 (1989) + Experimental and Theoretical Study of The R 3P -X- Bond. Case of Betaines Derived from N- Iminophosphoranes and Alkyl Isocyanates.

0543 J. A. S. Smith, B. Wehrle, F. Aguilar-Parrilla, H.-H. Limbach, C. Foces, F. H. Cano, J. Elguero, A. Baldy, M. Pierrot, M. M. T. Khurshid, J. B. Larcombe, J. Am. Chem. Soc ., 111 7304-7312 (1989) Intermolecular Triple Proton and Deuteron Transfert in Crystalline 3,5-Dimethylpyrazole Studied by NMR, NQR, and X-Ray Methods.

0544 F. Tomas, J.-L. M. Abboud, J. Laynez, R. Notario, L. Santos, J. Catalán, R. M. Claramunt, J. Elguero, J. Am. Chem. Soc ., 111 7348-7353 (1989) Tautomerism and Aromaticity in 1,2,3-Triazoles. The Case of Benzotriazole.

0545 J. Catalán, M. Sánchez-Cabezudo, J. L. G. de Paz, J. Elguero, R. W. Taft, F. Anvia, J. Comput. Chem ., 10 426-433 (1989) The Tautomerism of 1,2,3-Triazole, 3(5)-Methylpyrazole and Their Cations.

0546 C. Avendaño, C. de Diego, J. Elguero, F. Florencio, J. Sanz-Aparicio, J. Chem. Res ., M 1401-1429 (1989) Tris(2-Benzothienyl)methane: A Trisheteroarylmethane with Molecular Propeller Conformation in the Solid State.

0547 F. F. Lazaro, J. de Mendoza, O .Mó, S. R. Morgade, T. Torres, M. Yáñez, J. Elguero, J. Chem. Soc., Perkin Trans. 2 , ---- 797-803 (1989) Phtalocyanine Analogues. Part 1. Synthesis, Spectroscopy, and Theoretical Study of 8,18-Dihydrodibenzo[ b,f ]- 5,7,8,10,15,17,18,20- Octa-Azaporphyrin and MNDO Calculations on its Related Hückel Heteroannulene.

0548 S. P. Singh, L. S. Tarar, R. K. Vaid, J. Elguero, A. Martínez, J. Heterocycl. Chem ., 26 733-738 (1989) Reaction of 4-Hydrazinoquinolines with β-Diketones. Synthesis and Spectroscopy of Some Pyrazolylquinolines.

0549 P. Molina, M. Alajarín, C. L. Leonardo, M. C. Foces, F. H. Cano, R. M. Claramunt, J. Elguero, J. Org. Chem ., 54 1264-1268 (1989) Reactivity of 1,3-Diaryl-2,4-Bis(Heteroarylimino)-1,3-Diazetidines. Formation of Pentasubstituted Biguanides.

0550 M. A. Esteruelas, L. A. Oro, R. M. Claramunt, C. López, J. L. Lavandera, J. Elguero,

40 J. Organometal. Chem ., 366 245-255 (1989) Alcohol Activation by [Ir(COD)Tpzm] + and [Ir(COD)Tpze] + Cations: Formation of Alkoxycarbonyl + + Derivatives [(Tpzm)IrH(CO 2R')(CO)] and [(Tpze)IrH(CO 2R') (CO)] (R' = Me, Et, i-Pr).

0551 J. Catalán, P. Cabildo, J. Elguero, J. Gómez, J. Laynez, J. Phys. Org. Chem ., 2 646-652 (1989) Calorimetric Study of the Effect of N-Methylation in Azoles: Loss of an Active Centre to Solvation.

0552 A. de la Hoz, M. C. Pardo, J. Elguero, A. Fruchier, Magn. Reson. Chem ., 27 603-609 (1989) NMR Studies in the Heterocyclic Séries. XXXII. Carbon-13 NMR Study of N-Arylpyrazoles and N- Arylpyrazolium Salts.

0553 P. Jiménez, J. Laynez, R. M. Claramunt, D. Sanz, J.-P. Fayet, J. Catalán, G. Pfister, J. Elguero, New J. Chem ., 13 151 156 (1989) The Problem of the Tautomerism of 4(5)-Nitroimidazole: A Theoretical and Experimental Study.

0554 J. Elguero, P. Goya, J. A. Páez, C. Cativiela, J. A. Mayoral, Synth. Commun ., 19 473 476 (1989) Study of the Influence of Ultrasound and Aqueous Solvent on the Dields-Alder Reaction.

0555 R. Carrasco, R. F. Pellón, J. Elguero, P. Goya, J. A. Páez, Synth. Commun ., 19 2077 2080 (1989) The Use of Ultrasound in the Synthesis of N-Arylanthranilic Acids.

0556 R. M. Claramunt, J. Elguero, M. J. Fabre, M. C. Foces-Foces, F. H. Cano, I. H. Fuentes, C. Jaime, C. López, Tetrahedron , 45 7805 7816 (1989) A Conformational Study of Bis-, Tris- and Tetrakispyrazolyl-methane.

0557 J. Elguero, P. Goya, I. Rozas, J. Catalán, J. L. G. de Paz, J. Mol. Struct. (Theochem) , 184 115 129 (1989) An Ab Initio Comparative Study of the Electronic Properties of Sulfonamides and Amides.

0558 O. Mó, M. Yáñez, J. Elguero, J. Mol. Struct. (Theochem) , 201 17-37 (1989) A MO Analysis of the Aromaticity of Some Nitrogen Heterocyclic Compounds.

Año 1990 (37 publicaciones)

0559 P. Ballesteros, S. Senent, J. Elguero, Bull. Soc. Chim. Belg ., 99 595-598 (1990) Studies on the Thermal Rearrangement of 2-Methoxypyridine N-Oxides to 1-Methoxypyrin-2-ones.

0560 C. Cativiela, J. L. Dejardin, J. Elguero, J. I. García, E. Gonzalez, J. A. Mayoral, Coll. Czech. Chem. Commun ., 55 72-79 (1990) Acidity in Water (pK a Values) of Carboxylic Acids Derived from Simple Heterocycles.

0561 V. López, J. Catalán, R. M. Claramunt, C. López, E. Cayón, J. Elguero, Can. J. Chem ., 68 958-959 (1990) On the Relationship between Thermodynamic pK a's of Azoles and the Oxidation Potentials.

0562 J. Elguero, P. Goya, J. A. Páez, E. Díez-Barra, A. de la Hoz, A. Moreno, D. Mathieu, R. Phan Tan Luu, M. Sergent, Chemometrics, 9 287-292 (1990) Application of optimal design methodology to the phase transfer catalytic benzylation of malononitrile.

0563 M. Alcamí, O. Mó, M. Yáñez, J.-L. M. Abboud, J. Elguero, Chem. Phys. Lett ., 172 471-477 (1990) Bond Activation by Protonation in the Gas Phase.

0564 E. Alcalde, I. Dinarés, J. Elguero, J. Frigola, O. Osuna, S. Castanys, Eur. J. Med. Chem ., 25 309-319 (1990) 41 Pyridinium Azolate Betaines and Their Derivatives: A New Class of Antiprotozoal Agents.

0565 J. Elguero, J. L. G. de Paz, P. Goya, J. A. Páez, I. Rozas, Heterocycles , 31 197-202 (1990) A Theoretical Study of the Structure and Tautomerism of 1,2,4,6-Thiadiazine-1,1-Dioxide.

0566 D. Dhif, J.-P. Galy, J. Barbe, J. Elguero, Heterocycles , 31 1059-1065 (1990) Nucleophilic Aromatic Substitution of a Methoxy Group by an Alkylthio Group in 2-Methoxy -9- thioacridinones.

0567 M. T. Ramos, C. Avendaño, J. Elguero, F. Florencio, J. Sanz-Aparicio, Inorg. Chim. Acta , 174 169-173 (1990) Synthesis and Structural Study of Dichloro Di-2-benzothiazolyl-phenylmethanol Zinc (II).

0568 C. López, R. M. Claramunt, D. Sanz, C. Foces-Foces, F. H. Cano, R. Faure, E. Cayón, J. Elguero, Inorg. Chim. Acta , 176 195-204 (1990) Structure of Bis-, Tris- and Tetrakispyrazolylborates in the Solid State (X-Ray Crystallo-graphy) and in Solution.

0569 J. Catalán, F. Fabero, R. M. Claramunt, M. D. Santa María, M. C. Foces-Foces, F. H. Cano, J. Elguero, R. Sastre, J. Am. Chem. Soc ., 112 747-759 (1990) Photoinduced Intramolecular Proton Transfer as the Mechanism of Ultraviolet Stabilizers.

0570 J. Catalán, J. L. G. de Paz, M. Yáñez, R. M. Claramunt, C. López, J. Elguero, F. Anvia, J. H. Quian, R. W. Taft, J. Am. Chem. Soc ., 112 1303-1312 (1990) A Theoretical and Experimental Study of the Intrinsic Basicity of Methyldiazoles.

0571 J. Elguero, G. I. Yranzo, J. Chem. Res ., S 120-121 (1990) Isolation of Dihydroxypyrazolidine and 5-Hydroxy-2-Pyrazoline Intermediates in the Synthesis of Pyrazoles.

0572 J. Elguero, A. Fruchier, J. Chem. Res ., M 1501-1556 (1990) NMR Studies in the Heterocyclic Séries. Part 33. Proton NMR Spectra of 2-Pyrazolines.

0573 A. de la Hoz, C. Pardo, A. Sánchez, J. Elguero, J. Chem. Res ., S 294-295 (1990) Reaction of N-unsubstituted azoles with diphenyl-nitrilimine.

0574 G. Boyer, J.-P. Galy, R. Faure, J. Elguero, J. Barbe, J. Chem. Res ., M 2601-2615 (1990) Synthesis of Pyrazolo[ a]acridin-9(10 H)-ones.

0575 D. Carmona, L. A. Oro, M. C. Apreda, C. Foces-Foces, F. H. Cano, J. Elguero, M. L. Jimeno, J. Chem. Soc. Dalton Trans ., ---- 1463-1476 (1990) Synthesis, X-Ray Structure and NMR Studies of Ruthenium(II) Complexes Containing Pyrazole Ligands.

0576 D. Sanz, R. M. Claramunt, J. Elguero, L. Salazar, J. Chem. Soc. Perkin Commun ., ---- 809-810 (1990) Rearrangement of 1-Amino- and 1-Alkylamino-Pyrazoles to 5-Aminopyrazoles.

0577 M. C. Foces-Foces, F. H. Cano, R. M. Claramunt, D. Sanz, J. Catalán, F. Fabero, A. Fruchier, J. Elguero, J. Chem. Soc. Perkin Trans. 2 , ---- 237-244 (1990) The Structure of N-Aminoazoles: An Experimental (X-Ray And 15 N NMR) and Theoretical Study.

0578 J.-L. M. Abboud, J. Elguero, D. Liotard, M. Essefar, M. El Mouhtadi, R. W. Taft, J. Chem. Soc. Perkin Trans. 2 , ---- 565-571 (1990) A Theoretical Study of the Proton Affinities of Water, Alcohols, and Ethers. Absolute versus Relative Basicities.

42 0579 P. Ballesteros, R. M. Claramunt, T. Cañada, C. Foces-Foces, F. H. Cano, J. Elguero, A. Fruchier, J. Chem. Soc. Perkin Trans. 2 , ---- 1215-1219 (1990) A 1H and 13 C NMR and X-Ray Diffraction Study of the Tautomerism of 2-Hydroxy and 2,3- Dihydroxypyridine.

0580 R. M. Claramunt, M. C. Foces-Foces, F. H. Cano, A. Fruchier, P. Molina, M. Alajarín, C. L. Leonardo, J. Elguero, J. Chem. Soc. Perkin Trans. 2 , ---- 1859-1869 (1990) Molecular Structure in the Solid State and in Solution of 1,3-Diazetidines and Pentasubstituted Biguanides.

0581 J. Elguero, A. Martínez, S. P. Singh, M. Grover, L. S. Tarar, J. Heterocycl. Chem ., 27 865-870 (1990) A 1H and 13 C NMR Study of the Structure and Tautomerism of 4-Pyrazolylpyrazolinones.

0582 L. Salazar, M. Espada, C. Avendaño, J. Elguero, J. Heterocycl. Chem ., 27 1109-1110 (1990) N-Amination of 3-Amino-1,2,4-Triazole with Hydroxylamine-O-Sulfonic Acid.

0583 G. I. Yranzo, J. Elguero, J. Label. Comp. Radiopharm ., 28 967-970 (1990) Synthesis of Trideuteromethyl-3(5)pyrazoles.

0584 C. Corral, R. Donoso, J. Elguero, P. Goya, J. Lissavetzky, I. Rozas, J. Mol. Struct ., 238 245-251 (1990) Conformational Analysis of Thiophene Analogs of Propanolol .

0585 J. Elguero, P. Goya, A. Martínez, I. Rozas, O. Mó, J. L. G. de Paz, M. Yáñez, J. Phys. Org. Chem ., 3 470-476 (1990) Structure of 1,2,6-Thiadiazine 1,1-Dioxide.

0586 C. Ebert, J. Elguero, G. Musumarra, J. Phys. Org. Chem ., 3 651-658 (1990) Effects of the Heteroaromatic Moiety on Spectroscopic Properties, pK a and Reactivity of Azoles: A Chemometric Study.

0587 J. Elguero, M. L. Jimeno, G. I. Yranzo, Magn. Reson. Chem ., 28 807-811 (1990) A 1H and 13 C NMR Study of the Structure of Pyrazoles, Imidazoles and Their Benzo Derivatives in Sulphuric Acid.

0588 C. Avendaño, C. de Diego, J. Elguero, Magn. Reson. Chem ., 28 1011-1017 (1990) 13 C NMR Study of Polyaryl- and Poly-C-Heteroaryl-Carbinols and Their Carbonium Salts.

0589 C. Avendaño, C. de Diego, J. Elguero, Monatsh. Chem., 121 649-652 (1990) Reduction of tri(hetero)arylcarbinols to tri(hetero)arylmethanes.

0590 I. Alkorta, J. Elguero, P. Goya, A. Martínez, Rev. Acad. Cien ., 84 183-188 (1990) Modelizacion Molecular: Ejemplos de aplicación.

0591 A. de la Cruz, J. Elguero, P. Goya, A. Martínez, Synlett t, 12 753-754 (1990) Synthesis of a Valuable Precursor for the Preparation of Novel Quinolone Glycosides.

0592 C. Foces-Foces, F. H. Cano, M. M. Ripoll, R. Faure, C. Roussel, R. M. Claramunt, C. López, D. Sanz, J. Elguero, Tetrahedron Asymmetry , 1 65-86 (1990) Complete Energy Profile of a Chiral Propeller Compound: Tris-(2’-Methylbenzimidazol-1’-yl)methane.

43 0593 J. Catalán, J. L. G. de Paz, J. Elguero, A. Martínez, R. W. Taft, F. Anvia, J. Mol. Struct. (Theochem), 205 809-810 (1990) Electrostatic Proximity Effects in Gas-Phase Acidities and Basicities.

0594 I. Alkorta, J. Elguero, I. Rozas, A. T. Balaban, J. Mol. Struct. (Theochem), 206 67-75 (1990) Theoretical Studies of Aza Analogues of Platonic Hydrocarbons. Part I. Cubane and its Aza Derivatives.

0595 I. Alkorta, J. Elguero, I. Rozas, A. T. Balaban, J. Mol. Struct. (Theochem), 208 63-77 (1990) Theoretical Studies of Aza Analogues of Platonic Hydrocarbons. Part II. Tetrahedrane and its Aza Derivatives.

Año 1991 (32 publicaciones)

0596 A. R. Katritzky, C. A. Dum, J. Elguero, An. Quim . 87 940-941 (1991) The Case-History of a Minor Chemical Blunder- An Exception Seems to Prove the Rule that Chemical Refeering Procedures Work Reasonably Efficiently.

0597 C. Foces-Foces, F. H. Cano, P. Cabildo, R. M. Claramunt, J. Elguero, Acta Crystallogr. Sect. C , 47C 2583-2585 (1991) Structure and Conformation of a Hetero-Substituted Cyclooctane.

0598 J. Elguero, J. L. G. de Paz, Bull. Soc. Chim. Belg . 100 291-298 (1991) A Semi-Empirical Theoretical Study of the Structure of Pyrazolidinones and Related Compounds.

0599 J.-L. Aubagnac, R. M. Claramunt, J. L. Lavandera, J. Elguero, Bull. Soc. Chim. Belg . 100 459-466 (1991) Spectres de masse FAB en mode positif de cations hétérocycliques doublement chargés apparantés au dibenzo[ a,e ]cyclooctane.

0600 R. Faure, J.-P. Galy, J. Barbe, A. L. Boukir, E.-J. Vincent, G. Boyer, J. Elguero, Bull. Soc. Chim. Belg . 100 639-646 (1991) An Analysis of Substituent Effects on the Proton and Carbon-13 Chemical Shifts of 9-Chloro and 9-Amino Acridines.

0601 J. D. Pérez, G. I. Yranzo, M. A. Ferraris, J. Elguero, R. M. Claramunt, D. Sanz, Bull. Soc. Chim. Fr. 128 592-595 (1991) Flash Vacuum Pyrolysis (FVP) of Adamantylazoles. Part I. Indazoles.

0602 A. L. Llamas-Saiz, C. Foces-Foces, J. Elguero, P. Molina, M. Alajarín, A. Vidal, Chem. Commun . ---- 1694-1695 (1991) The X-Ray Crystal Structure of a Ternary Cocrystallization Compound: N,N'-Dimethyl-O-Phenylenediamine- Fluoroboric Acid- Triphenyl- Phosphine Oxide.

0603 M. Essefar, M. El Mouhtadi, J.-L. M. Abboud, J. Elguero, D. Liotard, Can. J. Chem . 69 1970-1975 (1991) Etude théorique (AM1) de l’affinité protonique des polyéthers cycliques (éthers couronnes) et non cycliques (glymes).

0604 J. A. S. Cavaleiro, J. Elguero, M. L. Jimeno, A. M. S. Silva, Chem. Lett . ---- 445-446 (1991) Synthesis of ( E)-2-Styrylchromones.

0605 B. Mester, R. M. Claramunt, J. Elguero, J. Atienza, A. Gómez-Barrio, J. A. Escario, Chem. Pharm. Bull . 39 1990-1993 (1991) Research for New Antichagasic Drugs.

0606 C. Cativiela, J. I. G. Laureiro, J. Elguero, E. Elguero, Gazz. Chim. Ital . 121 477-481 (1991) Electronic Absorption Spectra of Pyrazoles. III. Semiempirical Calculations and the Problem of Tautomerism

44 of 3(5)-Phenylpyrazole.

0607 J. L. M. Abboud, R. Notario, M. Berthelot, R. M. Claramunt, P. Cabildo, J. Elguero, M. J. El Ghomari, W. Bouab, R. Mokhlisse, G. Guiheneuf, J. Am. Chem. Soc . 113 7489-7493 (1991) "Gas-Phase-Like" Behavior in Solution Chemistry.

0608 T. Ramos, C. Avendaño, J. Elguero, F. Florencio, J. Sanz-Aparicio, J. Cryst. Spectrosc. Res . 21 179-182 (1991) Crystal and Molecular Structure of 6-Phenyl-13 H-Pyrimido[4,3-b:6,1-b] Bis-Benzothiazolium-12 Triiodide.

0609 A. L. Llamas-Saiz, C. Foces-Foces, P. Molina, M. Alajarín, A. Vidal, R. M. Claramunt, J. Elguero, J. Chem. Soc. Perkin Trans. 2 , ---- 1025-1031 (1991) Iminophosphorane-Substituted Proton Sponges. Part 1. X-Ray Molecular Structures of 1,8- Diaminonaphthalene and 1-Amino-8-triphenyl- Phosphoranylideneaminonaphthalene.

0610 A. L. Llamas-Saiz, C. Foces-Foces, J. Elguero, P. Molina, M. Alajarín, A. Vidal, J. Chem. Soc. Perkin Trans. 2 , ---- 1667-1676 (1991) Iminophosphorane-Substituted Proton Sponges. Part 2. Preparation and Crystal Structure of Four Phosphoranylideneammoniumnaphthalene Derivatives.

0611 A. L. Llamas-Saiz, C. Foces-Foces, J. Elguero, P. Molina, M. Alajarín, A. Vidal J. Chem. Soc. Perkin Trans. 2 , ---- 2033-2040 (1991) Iminophosphorane-Substituted Proton Sponges. Part 3. Preparation and Crystal Structure of Three Salts of Protonated 1-Dimethylamino-8- Triphenylphosphoranylideneammonium naphthalene.

0612 J. Elguero, A. Martínez, S. P. Singh, D. Kumar, J. Heterocycl. Chem. 28 647-651 (1991) Synthesis and NMR Spectroscopy ( 1H, 13 C) of 1-(2’-Benzothiazolyl)-3(5),4-polymethyl-enepyrazoles and Related Compounds.

0613 L. Z. Chen, R. Flammang, A. Maquestiau, R. W. Taft, J. Catalán, P. Cabildo, R. M. Claramunt, J. Elguero, J. Org. Chem ., 56 179-183 (1991) Thermodynamic Basicity vs Kinetic Basicity of Diazoles (Imidazoles and Pyrazoles).

0614 J. Elguero, G. I. Yranzo, J. Laynez, P. Jiménez, M. Menéndez, J. Catalán, J. L. G. de Paz, F. Anvia, R. W. Taft, J. Org. Chem ., 56 3942-3947 (1991) Effect of the Replacement of a Methyl by a Trifluoromethyl Group on the Acid-Base Properties of Pyrazoles.

0615 C. Jaime, A. Virgili, R. M. Claramunt, C. López, J. Elguero, J. Org. Chem ., 56 6521-6523 (1991) Conformational Study of ( R)-(-)-2,2,2-Trifluoro-1-(9-anthryl)ethanol (Pirkle’s Alcohol) by Dynamic NMR.

0616 R. M. Claramunt, C. López, D. Sanz, J. Elguero, D. Carmona, M. Esteban, L. A. Oro, M. Begtrup, J. Organometal. Chem ., 412 259-271 (1991) Rhodium(I) Complexes with the Polydentate Ligand 3,5-Bis(4-Methylpyrazol-1-yl)-4-methylpyrazole.

0617 A. Arques, P. Molina, M. V. Vinader, J. Elguero, Magn. Reson. Chem ., 29 517-520 (1991) Carbon-13 NMR Study of 5-Triphenyl-Phosphoranilyledeneamino Pyrazoles.

0618 G. Boyer, J.-P. Galy, R. Faure, J. Elguero, J. Barbe, Magn. Reson. Chem ., 29 638-640 (1991) 13 C Nuclear Magnetic Resonance Studies of Pyrazolo[ a]-9(10 H)-Acridanones.

0619 J. Elguero, Mundo Científico , 113 472-479 (1991) La Quimica: de la Ingeniería Molecular al Diseño de Propiedades.

0620 R. M. Claramunt, J. Elguero, Org. Prep. Proc. Int ., 23 273-320 (1991)

45 The Chemistry of Pyrazolidinones. A Review.

0621 J.-L. Aubagnac, R. M. Claramunt, C. López, J. Elguero, Rapid Commun. Mass Spectrom ., 5 113-116 (1991) Negative-Ion Fast-Atom Bombardment Mass Spectra of Pyrazolylborates with Various Matrices.

0622 J.-L. Aubagnac, M. W. Chi Man, J. Elguero, Rapid Commun. Mass Spectrom ., 5 469-471 (1991) Specific Reactivity of the ‘Magic Bullet’ Matrix in the Negative-Ion Fast-Atom Bombardment Mass Spectra of Organic Anions.

0623 C. Acerete, M. L. Bañón, P. Cabildo, R. M. Claramunt, J. Elguero, J. L. Lavandera, Rev. Roum. Chim ., 36 629-633 (1991) Basicity-Structure Relationships in Bisazolylmethanes and -Ethanes.

0624 J.-L. M. Abboud, G. Boyer, J. Elguero, P. Cabildo, R. M. Claramunt, Spectrochim. Acta , 47A 785-790 (1991) 13 13 1 13 Solvent Effects on the C NMR Parameters ( δ C Chemical Shifts and H- C Coupling Constants) of 1- Methylpyrazole and 1-Methylimidazole.

0625 A. de la Cruz, J. Elguero, V. Gotor, P. Goya, A. Martínez, F. Moris, Synth. Commun ., 21 1477-1480 (1991) Lipase-Mediated Acylation of Acyclonucleosides. Application to Novel Fluoroquinolone Derivatives.

0626 I. Alkorta, J. Elguero, I. Rozas, A. T. Balaban, J. Mol. Struct. (Theochem) , 228 47-60 (1991) Theoretical Studies of Aza Analogues of Platonic Hydrocarbons. Part III. Dodecahedrane and its Aza Derivatives.

0627 J. Barbe, G. Boyer, I. Carignano, J. Elguero, J.-P. Galy, S. Morel, R. Oughedani, Tetrahedron Lett ., 32 6709-6710 (1991) Thiazolo[5,4-a]Acridines.

Año 1992 (37 publicaciones)

0628 A. L. Llamas-Saiz, C. Foces-Foces, O. Mó, M. Yáñez, J. Elguero, Acta Crystallogr. Sect. B , 48B 700-713 (1992) Nature of the Hydrogen Bond: Crystallographic versus Theoretical Description of the O-H···N(sp 2) Hydrogen Bond.

0629 A. L. Llamas-Saiz, C. Foces-Foces, J. Elguero, W. Meutermans, Acta Crystallogr. Sect. C , 48C 714-717 (1992) Structure of 3,5-Pyrazoledimethanol: An X-Ray and 13 C Solid-State NMR Study.

0630 A. L. Llamas-Saiz, C. Foces-Foces, J. Elguero, P. Molina, M. Alajarín, A. Vidal, Acta Crystallogr. Sect. C , 48C 1940-1945 (1992) Effect of the Protonation and the ortho Substitution on the Structure of Arylimino-phosphoranes.

0631 J. Elguero, M. Espada, L. Salazar, An. Quim ., 88 724-725 (1992) The Réduction of 1-Nitropyrazole to 1-Aminopyrazole

0632 J. Torres, J. L. Lavandera, P. Cabildo, R. M. Claramunt, J. Elguero, Bull. Soc. Chim. Belg ., 101 29-36 (1992) Quaternary Salts of 1,2-Bisazolyl- and 1,2-Bisbenzazolylethanes.

0633 A. Fruchier, R. M. Claramunt, J. Elguero, D. Carmona, M. Esteban, Bull. Soc. Chim. Belg ., 101 697-699 (1992) Synthesis and Analysis of the 1H and 19 F Spectra of Tetrafluorobenzobarrelene and its 1,3,10-Trimethyl Derivative.

46 0634 J. Elguero, C. Foces-Foces, A. Llamas-Saiz, Bull. Soc. Chim. Belg ., 101 795-799 (1992) Another Possible Carbon Allotrope.

0635 A. Marín, N. Valls, F. J. Berenguer, M. T. Alonso, A. R. Martínez, M. M. Martínez, J. Elguero, Il Farmaco , 47 63-75 (1992) Synthesis and Anthelmintic Activity of Carbamates Derived from Imidazo[2,1-b][1,3,4] thiadiazole and Imidazo[2,1-b]thiazole.

0636 P. K. Byers, A. J. Canty, R. T. Honeyman, R. M. Claramunt, C. López, J. L. Lavandera, J. Elguero, Gazz. Chim. Ital ., 122 341-344 (1992) Synthesis and Carbon-13 NMR Spectroscopy of Poly(Pyrazol-1-yl) Alkane Ligands.

0637 J. Catalán, P. Pérez, F. Fabero, J. F. K. Wilshire, R. M. Claramunt, J. Elguero, J. Am. Chem. Soc ., 114 964-966 (1992) Photophysical Properties of Some 2-(2'-Hydroxyaryl)benzotriazoles: Dramatic Effect of an ortho -Located Bulky tert -Butyl Group.

0638 J. Catalán, F. Fabero, R. M. Claramunt, M. D. Santa Maria, C. Foces-Foces, F. H. Cano, M. Martínez-Ripoll, J. Elguero, R. Sastre, J. Am. Chem. Soc ., 114 5039-5048 (1992) New Ultraviolet Stabilizers: 3- and 5-(2'-Hydroxyphenyl)pyrazoles.

0639 F. Aguilar-Parrilla, G. Scherer, H.-H. Limbach, C. Foces-Foces, F. H. Cano, J. Elguero, J. Am. Chem. Soc ., 114 9657-9659 (1992) Observation of a Séries of Degenerate Cyclic Double, Triple, and Quadrupole Proton Transfers in Solid Pyrazoles.

0640 O. Mó, M. Yáñez, J. Elguero, J. Chem. Phys ., 97 6628-6638 (1992) Cooperative (Nonpairwise) Effects in water Trimers: An Ab Initio Molecular Orbital Study.

0641 A. de la Cruz, J. Elguero, P. Goya, A. Martínez, V. Gotor, F. Moris, E. De Clercq, J. Chem. Res. M 1682-1693 (1992) Synthesis and Antiviral Evaluation of New 4-Quinolone Acyl-Nucleosides.

0642 M. Bruix, J. Elguero, W. Meutermans, J. Chem. Res. S 370-371 (1992) Synthesis and Atropisomerism of Meso-Tetrapyrazolylporphyrins.

0643 P. Molina, M. Alajarín, C. López-Leonardo, F. H. Cano, A. L. Llamas-Saiz, C. Foces-Foces, R. M. Claramunt, J. Elguero, J. Chem. Soc. Perkin Trans. 1 , ---- 199-210 (1992) 2,4-Bisimino-1,3-Diazetidines: Iminophosphoranes, Carbodiimides and Related Betaines.

0644 J. Bertrán, A. Oliva, J. Jose, M. Duran, P. Molina, M. Alajarín, C. López Leonardo, J. Elguero, J. Chem. Soc. Perkin Trans 2 , ---- 299-304 (1992) Theoretical Study of the Mechanism of Dimerization of N,C -Disubstituted Carbodiimides.

0645 P. Domiano, P. Cozzini, R. M. Claramunt, J. L. Lavandera, D. Sanz, J. Elguero, J. Chem. Soc. Perkin Trans. 2 , ---- 1609-1620 (1992) The Molecular Structure of 6,8,6 and Related Systems.

0646 F. Aguilar-Parrilla, C. Cativiela, M. D. D. de Villegas, J. Elguero, C. Foces-Foces, J. I. G. Laureiro, F. H. Cano, H.-H. Limbach, J. A. S. Smith, C. Toiron, J. Chem. Soc., Perkin Trans. 2 , ---- 1737-1742 (1992) The Tautomerism of 3(5)-Phenylpyrazoles: An Experimental ( 1H, 13 C, 15 N NMR and X-Ray Crystallography) Study.

0647 M. A. Monge, E. Gutierrez-Puebla, M. M. Ramos Gallego, C. Pardo, J. Elguero, J. Heterocycl. Chem ., 29 499-502 (1992) The Molecular Structure of 2-Methylbenzotriazole (2MeBzTz) in Connection with the X-Ray Structure of

47 2MeBzTr.HBF 4.H 2O.

0648 S. B. Bulgarevich, M. D. Gruntfest, D. Ya. Movshovich, V. Bobosik, R. M. Claramunt, C. López, J. Elguero, J. Mol. Struct ., 274 197-214 (1992) Conformational Study of Bis(2-substituted-benzimidazol-1-yl)-Methanes by Kerr Effect and Dipole Moment Methods.

0649 L. Salazar, M. Espada, C. Avendaño, R. M. Claramunt, D. Sanz, J. Elguero, J. Org. Chem ., 57 1563-1567 (1992) Rearrangement of N-(Alkylamino)Azoles in Acid Medium: A New Entry to C-Amino-N-Substituted Azoles.

0650 P. Ballesteros, R.M. Claramunt, C. Escolastico, M.D. Santa Maria, J. Elguero, J. Org. Chem ., 57 1873-1876 (1992) Reaction of Pyrazole Addition to Quinones.

0651 J.-L. M. Abboud, P. Cabildo, T. Cañada, J. Catalán, R. M. Claramunt, J. L. G. de Paz, J. Elguero, H. Homan, R. Notario, C. Toiron, G. I. Yranzo, J. Org. Chem ., 57 3938-3946 (1992) Basicity of C-Substituted Pyrazoles in the Gas Phase: An Experimental (ICR) and Theoretical Study.

0652 J. Elguero, M.García-Rodríguez, E. Gutierrez-Puebla, A. de la Hoz, M. A. Monge, C. Pardo, M. M. Ramos, J. Org. Chem ., 57 4151-4155 (1992) Reaction of N-Vinylpyrazolium and N -Vinylindazolium Salts with Cyanide Ion: Formation of 1,2- Dihydropyrimidines, 3,4-Dihydroquinazoline, and Quinolines.

0653 M. L. Jimeno, J. Elguero, R. M. Claramunt, J. L. Lavandera, P. Domiano, P. Cozzini, J. Org. Chem ., 57 6682-6684 (1992) Conformational Analysis of 1,2:5,6:9,10-Tribenzododeca-1,5,9-triene by 1H NMR at 173 K.

0654 J. Catalán, E. Mena, W. Meutermans, J. Elguero, J. Phys. Chem ., 96 3615-3621 (1992) Solvatochromism of a Typical Merocyanine: Stilbazolium Betaine and its 2,6-Di-tert -butyl Derivative.

0655 J. Alvarez-Builla, T. Crespo, R. López, J. Elguero, C. Toiron, G. I. Yranzo, J. Pharm. Sci ., 81 577-580 (1992) High-Performance Liquid Chromatographic Determination of the π Values of Azol-N-yl Substituents.

0656 P. Molina, A. Arques, R. Obón, A. L. Llamas-Saiz, C. Foces-Foces, R. M. Claramunt, C. López, J. Elguero, J. Phys. Org. Chem ., 5 507-517 (1992) Host-Guest Chemistry. Inclusion Compounds of 2-[o-(Triphenylphosphoranylidenamino) Benzyliden] Amino- 1H-2,3-Dihydroundazol-3-one. X-Ray Structural of Free Host and its Ethanol Inclusion Compound.

0657 J. Catalán, P. Pérez, J. Elguero, J. Phys. Org. Chem ., 5 609-613 (1992) Interaction of Formamide with Stilbazolium Betaines: Steric Effects in Amides.

0658 A. de la Hoz, C. Pardo, J. Elguero, M. L. Jimeno, Monatsh. Chem ., 123 99-104 (1992) The Benzene Ring as a Dipolarophile: Reactions of Monosubstituted Benzenes with Tetracyanoethylene Oxide.

0659 M. Begtrup, P. Vedsø, P. Cabildo, R. M. Claramunt, J. Elguero, W. Meutermans, Magn. Reson. Chem . 30 455-459 (1992) 13 C Chemical Shifts and 1H-13 C Coupling Constants on N-Phenyl, N-p-Fluorophenyl- and N-o-Nitrophenyl- Pyrazoles.

0660 I. Alkorta, J. Elguero, Mod.Chem., 129 709-718 (1992) The Use of Additive Models for Discussing the Heats of Formation of Polyazaderivatives of Aromatic Hydrocarbons.

0661 J. Catalán, P. Pérez, J. Elguero,

48 New J. Chem . 16 511-516 (1992) Solvent Effects on the Relative Stabilities of 4- and 5-Nitro-Imidazoles in the Excited State.

0662 J.-L. M. Abboud, M. Yáñez, J. Elguero, D. Liotard, M. Essefar, M. El Mouhtadi, R.W. Taft, New J. Chem. 16 739-745 (1992) A Comparative Study of Lithium Cation Affinities of Alcohols and Ethers and Proton Affinities of Lithium Alkoxides.

0663 J.-L. Aubagnac, H. Munster, J. Elguero, W. Meutermans, Rapid Com. Mass Spectrom . 6 540-542 (1992) Comparison of The Fast-Atom Bombardment and Electrospray Ionization Mass Spectra of Meso - Pyrazolylporphirins.

0664 A. de la Cruz, J. Elguero, P. Goya, A. Martínez, W. Pfleiderer, Tetrahedron , 48 6135-6150 (1992) Tautomerism and Acidity in 4-Quinolone-3-Carboxylic Acid Derivatives.

Año 1993 (41 publicaciones)

0665 A. Llamas-Saiz, C. Foces-Foces, I. Sobrados, J. Elguero, W. Meutermans, Acta Crystallogr. Sect. C , 49C 724-729 (1993) (4 S,7 R)-7,8,8-Trimethyl-4,5,6,7-Tetrahydro-4,7-Methano-1H(2 H)-Indazole (Campho[2,3-c]Pyrazole): Comparison Between the X-Ray Structure and Carbon-13 NMR Data in the Solid State.

0666 J. Elguero, R. M. Claramunt, C. López, D. Sanz, Afinidad , 50 383-388 (1993) Correlación de propiedades RMN de pirazoles N-sustituidos con parámetros electrónicos del sustituyente.

0667 J. Elguero, An. Quim ., 89 43-50 (1993) The Nature of the Hydrogen Bond and its Influence on the Structure of Inclusion Compounds. A Scientific Example of Synergism: X-Ray Crystallography and High-Resolution Solid State NMR.

0668 M. L. Cerrada, J. M. Cudero, J. Elguero, C. Pardo, An. Quim ., 89 141-142 (1993) Chiral recognition: synthesis of Tröger's bases with azolyl substitutents.

0669 A. Echevarría, J. Elguero, C. Foces-Foces et al . An. Quim ., 89 143-144 (1993) Structure of 2,4,6-tri(azol-1-yl)-1,3,5-triazines in solution and solid state.

0670 C. T. Supuran, A. T. Balaban, P. Cabildo, R. M. Claramunt, J. L. Lavandera, J. Elguero, Biol. Pharm. Bull. Japan , 16 1236-1239 (1993) Carbonic Anhydrase Activators. VII. Isozyme II Activation by Bis-Azolyl-Methanes, -Ethanes and Related Azoles.

0671 P. Cabildo, R. M. Claramunt, J. Elguero, C. Foces-Foces, A. L. Llamas-Saiz, F. H. Cano, Bull. Soc. Chim. Belg ., 93 735-747 (1993) Studies in the Azole Séries. CIII. Adamantyl and Halogeno Pyrazolin-5-ones.

0672 J. F. Klein, J. C. Pommelet, J. Chuche, J. Elguero, P. Goya, A. Martínez, Can. J. Chem ., 71 410-412 (1993) SO 2 Extrusion in 1,2,6-Thiadiazine 1,1-Dioxides: A Novel Synthesis of Pyrazoles.

0673 C. López, R. M. Claramunt, S. Trofimenko, J. Elguero, Can. J. Chem ., 71 678-684 (1993) A 13 C NMR Spectroscopy Study of the Structure of N-H Pyrazoles and Indazoles.

0674 M. Perrin, A. Thozet, P. Cabildo, R. M. Claramunt, E. Valentí, J. Elguero, Can. J. Chem ., 71 1443-1449 (1993) Molecular Structure and Tautomerism of 3,5-Bis(4-methylpyrazol-1-yl)-4-methylpyrazole.

49 0675 J. Catalán, P. Pérez, J. Elguero, W. Meutermans, Chem. Ber ., 126 2445-2448 (1993) The Solvatochromism of Sterically Hindred Stilbazolium Betaines and its Relationship to Reichardt’s ET(30) Scale: The Problem of the Measurement of the Polarity vs the Acidity of Alcohols.

0676 C. Foces-Foces, F. H. Cano, J. Elguero, Gazz. Chim. Ital ., 123 477-479 (1993) The Crystal Structure of 3,5-Dimethyl-4-nitropyrazole and its Non-Linear Optical Properties.

0677 A. Echevarría, M. Martín, I. Rozas, M. L. Jimeno, J. Elguero, Gazz. Chim. Ital ., 123 529-530 (1993) Unexpected Formation of Tetrahydropyrazolo[3,4-b]pyridines During the Deamination of 3,5-Diamino-4- alkylpyrazoles.

0678 V. Bobosik, C. López, R. M. Claramunt, C. Rousel, J. L. Stein, D. Thiery, J. Elguero, Heterocycles , 35 1067-1074 (1993) Synthesis and Resolution of Bis- and Tris-(Benzimidazol-1-yl)methanes.

0679 J. Catalán, J. Elguero, J. Am. Chem. Soc ., 115 9249-9252 (1993) Fluorescence of C 60 and C 70 .

0680 F. Toda, K. Tanaka, C. Foces-Foces, A. L. Llamas-Saiz, H.-H. Limbach, F. Aguilar-Parrilla, R. M. Claramunt, C. López, J. Elguero, J. Chem. Soc., Chem. Comm. ---- 1139-1142 (1993) Intermolecular Proton Transfer in Host-Guest Crystals: The Case of Pyrazole Included in 1,1-Di(2,4- dimethylphenyl)but-2-yn-1-ol, An X-Ray and Solid-Sate 13 C/ 15N NMR Study.

0681 L. Cerrada, J. Cudero, J. Elguero, C. Pardo, J. Chem. Soc., Chem. Comm. ---- 1713-1714 (1993) Azolyl Substituted Tröger’s Bases.

0682 A. de la Cruz, J. Elguero, P. Goya, A. Martínez, E. De Clercq, J. Chem. Soc., Perkin Trans. 1 ---- 845-849 (1993) Synthesis and Biological Evaluation of 4-Quinolone Ribosides.

0683 A. Echevarría, J. Elguero, G. I. Yranzo, E. Díez-Barra, A. de la Hoz, A. Moreno, M. A. García-Martín, J. Chem. Soc., Perkin Trans. 1, ---- 2229-2232 (1993) Synthesis of 4-Alkylpyrazoles from 3,5-Diaminopyrazoles.

0684 L. Salazar, M. Espada, D. Sanz, R. M. Claramunt, J. Elguero, S. García-Granda, M. R. Diaz, F. Gómez- Beltrán, J. Chem. Soc., Perkin Trans. 2 , ---- 377-383 (1993) The Structure of N-(Azol-N-yl)formamides: A Crystallographic and Dynamic NMR Spectroscopy Study.

0685 J. Laynez, M. Menéndez, J. L. Saiz Velasco, A. L. Llamas-Saiz, C. Foces-Foces, J. Elguero, P. Molina, M. Alajarín, A. Vidal, J. Chem. Soc. Perkin Trans. 2 , ---- 709-713 (1993) Iminophosphorane-Substituted Proton Sponges. Part 4. Comparison of X-Ray Molecular Structures with 1 13 Solution Properties (pK a, H and C NMR).

0686 G. Boyer, R. M. Claramunt, J. Elguero, M. Fathallah, C. Foces-Foces, C. Jaime J. Elguero, J. Chem. Soc. Perkin Trans. 2 , ---- 757-766 (1993) Synthesis and Structure of New Hosts Related to 9,9’-Bianthryl.

0687 C. Avendaño, M. Espada, B. Ocaña, S. García-Granda, M. R. Díaz, B. Tejerina, F. Gómez-Beltran, A. Martínez, J. Elguero, J. Chem. Soc. Perkin Trans. 2 , ---- 1547-1555 (1993) The Problem of the Existence of C(Ar)-H... N Intramolecular Hydrogen Bonds in a Family of 9-Azaphenyl-9H- Carbazoles.

50 0688 A. C. Olivieri, D. Sanz, R. M. Claramunt, J. Elguero, J. Chem. Soc. Perkin Trans. 2 , ---- 1597-1601 (1993) Proton Transfer in Rubazoic Acid Derivatives in Solution and in the Solid State. An NMR Study.

0689 R. M. Claramunt, D. Sanz, J. Catalán, F. Fabero, N. A. García, C. Foces-Foces, A. L. Llamas-Saiz, J. Elguero, J. Chem. Soc. Perkin Trans. 2 , ---- 1687-1699 (1993) 13 15 N-Aminoazoles. Part 2. Basicity and Protonation Site of N-Aminoazoles: An Experimental (pK a, C and N NMR Spectroscopy and Crystallography) and Theoretical Study.

0690 C. Foces-Foces, A. L. Llamas-Saiz, R. M. Claramunt, D. Sanz, J. Dotor, J. Elguero, J. Crystallogr. Spectrosc. Res . 23 305-312 (1993) The Crystal Structures of 2-(2-Methoxyphenyl)perimidine and its Hemihydrate.

0691 M. Perrin, A. Thozet, S. Lecocq, J. Elguero, A. Martínez, A. Fruchier, J. Crystallogr. Spectrosc. Res . 23 961-965 (1993) The Molecuylar Structure of 3(5)-Methyl-4,5(3)-trimethylenepyrazole Hydrochloride and its 13 C and 15 N NMR Spectroscopy.

0692 J. D. Pérez, G. I. Yranzo, J. L. G. de Paz, J. Elguero, J. Fluorine Chem . 63 271-279 (1993) A Theoretical and Experimental Study of The Flash Vacuum Pyrolysis (FVP) of Trifluoro-methylpyrazoles.

0693 A. Echevarría, J. Elguero, W. Meutermans, J. Heterocycl. Chem . 30 957-960 (1993) Research in the Azole Séries. 103. Synthesis and 13 C NMR Study of Pyrazole-4-Carbal-dehydes.

0694 C. Foces-Foces, A.L. Llamas-Saiz, R.M. Claramunt, C. López, J. Elguero, P. Molina, A. Arques, R. Obón, J. Incl. Phen. Mol. Rec. Chem. 16 155-168 (1993) Host-Guest Chemistry. 2. Amine Inclusion Compounds of 2-[o-(Triphenyl-Phosphoranyl- idenamino)Benzyliden]Amino-1H-2,3-Dihydroindazol-3-one. X-Ray Structure of its 1:1:1 Inclusion Complex with Isopropylamine and Water.

0695 I. Hargittai, J. Brunvoll, C. Foces-Foces, A.L. Lamas-Saiz, J. Elguero, J. Mol. Struct ., 291 211-217 (1993) A Comparison of the Structures of Pyrazole, 3,5-Dimethylpyrazole and 3,5-Bis (Trifluoromethyl)pyrazole: Theoretical Calculations (STO-3G), Microwave, Electron Diffraction and Crystallography.

0696 J. Catalán, P. Pérez, J. Elguero, J. Org. Chem ., 58 5276-5277 (1993) Structure of Benzotriazole in the Gas Phase: A UV Experimental Study.

0697 P. Molina, M. Alajarín, C. López-Leonardo, J. Elguero, J. Prakt. Chem ., 335 305-315 (1993) Four-Membered Heterocyclic Rings from Iminophosphoranes. Prepation and Reactivity of 2,4-Diimino-1,3- Diazetidines and Related Compounds (A Review).

0698 M. Begtrup, G. Boyer, P. Cabildo, C. Cativiela, R. M. Claramunt, J. Elguero, J. I. García, C. Toiron, P. Vedsø, Magn. Reson. Chem ., 31 107-168 (1993) 13 C NMR of Pyrazoles (Review).

0699 R. M. Claramunt, D. Sanz, G. Boyer, J. Catalán, J. L. G. de Paz, J. Elguero, Magn. Reson. Chem ., 31 791-800 (1993) An Experimental ( 13 C and 15 N NMR Spectroscopy) and Theoretical (6-31G//6-31G) Study of the Protonation of N-Methyl Azoles and N-Methyl Benzazoles.

0700 A. L. Llamas-Saiz, C. Foces-Foces, J. Elguero, P. Molina, M. Alajarín, A. Vidal, Mod. Chem. , 130 467-495 (1993) A Comparison of the Hydrogen Bond Acceptor Properties of Dimethylamino and Iminophosphorane Groups in o-Phenylendiamine Derivatives.

0701 J. de Mendoza, P. Prados, N. Campillo, P. M. Nieto, C. Sánchez, J.-P. Fayet, M.-C. Vertut, C. Jaime, J.

51 Elguero, Recl. Trav. Chim. Pays-Bas , 112 367-369 (1993) Dipole Moments Can Be Used to Determine the Conformation of Calix[4]Arenes.

0702 A. Echevarría, J. Elguero, Synth. Commun ., 23 925-930 (1993) Synthesis of 4-Benzylpyrazoles from Monobenzylmalononitrile.

0703 M. L. Cerrada, J. Elguero, J. de la Fuente, C. Pardo, M. Ramos, Synth. Commun ., 23 1947-1952 (1993) Synthesis of p-Nitrophenylazoles by Phase Transfer Catalysis Without Solvent.

0704 J. Elguero, E. Gutiérrez-Puebla, A. Monge, C. Pardo, M. Ramos, Tetrahedron , 49 11305-11320 (1993) Reaction of N-Vinylindazolium and N -Vinylbenzotriazolium Salts with Nucleophiles.

0705 S. Morel, J.-P. Galy, J. Elguero, J. Barbe, Tetrahedron Lett ., 34 2609-2612 (1993) On the Problem of the Cyclisation of Benzothiazolyl-Anthranilic Acids.

Año 1994 (40 publicaciones)

0706 A. L. Llamas-Saiz, C. Foces-Foces, F. H. Cano, P. Jimenez, J. Laynez, W. Meutermans, J. Elguero, H.-H. Limbach, F. Aguilar-Parrilla, Acta Crystallogr., Sect. B , 50B 746-762 (1994) The Influence of the Nitro Group on the Solid-State Structure of 4-Nitro-Pyrazoles: The Cases of Pyrazole, 3,5-Dimethylpyrazole, 3,5-Di-Tert-butylpyrazole and 3,5-Diphenyl- pyrazole. Part I. Static Aspects (Crystallography and Thermodynamics).

0707 A. de la Cruz, J. Elguero, P. Goya, A. Martínez, Boll. Chim. Farmaceutico , 133 72-74 (1994) Synthesis and Antimicrobial Evaluation of New Derivatives of Diphenylsulfone.

0708 R. Flammang, M. Alajarín, C. López-Leonardo, P. Molina, J. Elguero, Bull. Soc. Chim. Fr ., 131 636-638 (1994) Behavior of 2,4-Bis-Imino-1,3-Diazetidines under Electron Impact and Flash-Vacuum Pyrolysis (FVP) Conditions.

0709 I. Forfar. P. Cabildo, R. M. Claramunt. J. Elguero, Chem. Lett ., ---- 2079-2080 (1994) Synthesis of 3-(1-Adamantyl)pyrazole and 3,5-Di(1-adamantyl)pyrazole in a Microwave Oven.

0710 O. Mó, M. Yáñez, I. Rozas, J. Elguero, Chem. Phys. Lett ., 219 45-52 (1994) Structure, Vibrational Frequencies and Thermodynamic Properties of Hydrogen Peroxide-Water Dimers. An Ab Initio Molecular Orbital Study.

0711 R. M. Claramunt, J. Dotor, D. Sanz, C. Foces-Foces, A. L. Llamas-Saiz, J. Elguero, R. Flammang, J.-P. Morizur, E. Chapon, J. Tortajada, Helv. Chim. Acta , 77 121-139 (1994) The Structure of Perimidin-2-one and its Derivatives in the Solid State (X-Ray Crystallography and 13 C CPMAS NMR), in Solution ( 13 C NMR) and in the Gas-Phase (Mass Spectrometry).

0712 P. Cabildo, R. M. Claramunt, I. Forfar, C. Foces-Foces, A. L. Llamas-Saiz, J. Elguero Heterocycles , 37 1623-1636 (1994) Adamantylation of N-Unsubstituted Pyrazole Derivatives: Mechanistic and Structural Studies.

0713 J. Elguero, N. Jagerovic, A. Werner, M. L. Jimeno, Heterocycl. Commun ., 1 102-103 (1994) Failed Attempt to Induce Chirality Using a Magnetic Field: The Case of Chiral Helicity of Tris(2- methylbenzimidazol-1-yl)methane.

52 0714 D. Carmona, L. A. Oro, M. P. Lamata, M. L. Jimeno, J. Elguero, A. Belguise, P. Lux, Inorg. Chem ., 33 2196-2203 (1994) Argentotropism in (Pentamethylcyclopentadienyl)-Iridium Complexes with Pyrazole Ligands: Multinuclear DNMR Experiments.

0715 J.-L. M. Abboud, R. Notario, E. Ballesteros, M. Herreros, O. Mó, M. Yáñez, J. Elguero, G. Boyer, M. R. Claramunt, J. Am. Chem. Soc ., 115 2486-2492 (1994) Dissociative Attachment of Protons to 1-Fluoro and 1-Chloro- adamantane in the Gas-Phase.

0716 O. Mó, M. Yáñez, I. Rozas, J. Elguero, J. Chem. Phys ., 100 2871-2877 (1994) Structure, Vibrational Frequencies, and Thermodynamic Properties of Hydrogen Peroxide Dimers: An Ab Initio Molecular Orbital Study

0717 C. Foces-Foces, A. L. Llamas-Saiz, R. M. Claramunt, C. López, J. Elguero, J. Chem. Soc., Chem. Commun ., ---- 1143-1145 (1994) Structure of 3(5)-Methyl-4-nitropyrazole in the Solid State: Tautomerism, Crystallography and the Problem of Desmotropy

0718 A. L. Llamas-Saiz, C. Foces-Foces, J. Elguero, F. Aguilar-Parrilla, H.-H. Limbach, P. Molina, M. Alajarín, A. Vidal, R. M. Claramunt, C. López, J. Chem. Soc., Perkin Trans. 2 , ---- 209-212 (1994) Iminophosphorane-Substituted Proton Sponges. Part 5. Structures in the Solid State. Correlation Between Solid State 31 P Mas NMR Spectra and Crystal Structures.

0719 A. F. Pozharskii, V. V. Kuz’menko, C. Foces-Foces, A. L. Llamas-Saiz, R. M. Claramunt, D. Sanz, J. Elguero, J. Chem. Soc., Perkin Trans. 2 , ---- 841-846 (1994) N-Aminoazoles. Part 3. Molecular Structure and Multinuclear NMR Study of 1,3-Diamino-benzimidazolium Chloride Hydrate and 1-Amino-3-methylbenzimidazolium Iodide.

0720 R. Notario, M. Herreros, E. Ballesteros, M. Essefar, J.-L. M. Abboud, I. D. Sadekov, V. I. Minkin, J. Elguero J. Chem. Soc., Perkin Trans. 2 , ---- 2341-2344 (1994) Gas Phase Basicities of 1,3-Benzazoles: Benzimidazole, Benzoxazole, Benzothiazole, Benzoselenazole and Benzotellurazole.

0721 J. Elguero, F. H. Cano, C. Foces-Foces, A. L. Llamas-Saiz, H.-H. Limbach, F. Aguilar-Parrilla, R. M. Claramunt, C. López, J. Heterocycl. Chem ., 31 695-700 (1994) Proton Transfer in Solid Heterocycles: An X-Ray and CPMAS NMR Study.

0722 A. L. Llamas-Saiz, C. Foces-Foces, J. Elguero, J. Mol. Struct ., 319 231-260 (1994) The Influence of the Substituent at the Nitrogen Atom on the Molecular Structure of Pyrazoles: A Crystallographic Statistical Survey versus Ab Initio Calculations.

0723 A. L. Llamas-Saiz, C. Foces-Foces, J. Elguero, J. Mol. Struct ., 328 297-323 (1994) Proton Sponges.

0724 A. E. Tipping, P. Jimenez, E. Ballesteros, J.-L. M. Abboud, M. Yáñez, M. Essefar, J. Elguero, J. Org. Chem ., 59 1039-1046 (1994) Structure, Basicity, and Thermodynamic Properties of 3,5-Bis(Trifluromethyl)-1,2,4-Triazole with Regard to 1,2,4-Triazole: The Trifluoromethylation Effect.

0725 F. Tomás, J. Catalán, P. Pérez, J. Elguero, J. Org. Chem ., 59 2799-2802 (1994) The Influence of Lone Pair Repulsion vs Resonance Energy on the Relative Stabilities of Molecular Structures: A Theoretical Approach of the Equilibrium Between 1H- and 2 H-Benzotriazole Tautomers.

0726 A. Vichet, A.-M. Patellis, J.-P. Galy, A.-M. Galy, J. Barbe, J. Elguero J. Org. Chem ., 59 5156-5161 (1994)

53 Crown Ethers Derived from 2,7-Dihydroacridine and 2,7-Dihydroxyacridan-9-one.

0727 P. Molina, M. Alajarín, P. Sánchez-Andrada, J. Elguero, M. L. Jimeno, J. Org. Chem ., 59 7306-7315 (1994) A New and Efficient Preparation of Cyclic Carbodiimides from Bis(Iminophosphoranes) and the System Boc 2O/DMAP.

0728 P. Cornago, C. Escolástico, M. D. Santa María, R. M. Claramunt, D. Carmona, M. Esteban, L. A. Oro, C. Foces-Foces, A. L. Llamas-Saiz, J. Elguero, J. Organomet. Chem ., 467 293-301 (1994) 2,5-Bis(Pyrazol-1’-yl)-1,4-dihydrobenzene (H 2LL)-Rhodium and Iridium Complexes.

0729 D. Carmona, J. Ferrer, M. P. Lamata, L. A. Oro, H.-H. Limbach, G. Scherer, J. Elguero, M. L. Jimeno, J. Organomet. Chem ., 470 271-274 (1994) 31 107(109) 6 Determination of the Free Activation Energy for the P- Ag Bond Breaking in the Case of [( η -p- cymene)Ru(M-Pz) 3Ag(PPh 3)].

0730 A. C. Olivieri, J. Elguero, I. Sobrados, P. Cabildo, R. M. Claramunt, J. Phys. Chem ., 98 5207-5211 (1994) Variable-Field Study of 13 C, 35,37Cl Residual Dipolar Coupling in the 13 C CPMAS NMR Spectra of Pyrazole Derivatives.

0731 F. Aguilar-Parrilla, R. M. Claramunt, C. López, D. Sanz, H.-H. Limbach, J. Elguero, J. Phys. Chem ., 98 8752-8760 (1994) High-Resolution Solid-State 13 C and 15 N NMR Spectroscopy of Pyrazole and 3,5-Dimethylpyrazole Adsorbed on Alumina and Silica.

0732 J. Catalán, J. C. del Valle, R. M. Claramunt, G. Boyer, J. Laynez, J. Gómez, P. Jiménez, F. Tomás, J. Elguero, J. Phys. Chem ., 98 10606-10612 (1994) Acidity and Basicity of Indazole and its N-Methyl Derivatives in the Ground and in the Excited State.

0733 R. Notario, M. Herreros, A. El Hammadi, H. Homan, J.-L. M. Abboud, I. Forfar, R. M. Claramunt, J. Elguero, J. Phys. Org. Chem ., 7 657-662 (1994) Similarity in Physical Organic Chemistry: Substituent Effects on the Intrinsic Basicity of 4-Substituted Pyrazoles.

0734 F. Aguilar-Parrilla, F. Männle, H.-H. Limbach, J. Elguero, N. Jagerovic, Magn. Reson. Chem ., 32 699-702 (1994) 15 N NMR Chemical Shifts of NH Pyrazoles in the Solid State and in Solution at Low Temperature.

0735 A. Martínez, M. L. Jimeno, J. Elguero, A. Fruchier, New J. Chem ., 18 269-277 (1994) An Experimental Approach to the Mills-Nixon Effect: Tautomerism of 3(5),4-Polymethylene-pyrazoles.

0736 F. Gago, M. Pastor, J. Pérez-Butrageño, R. López, J. Alvarez-Builla, J. Elguero, Quant. Struct.-Act. Relat ., 13 165-171 (1994) Hydrophobicity of Heterocycles: Determination of the π Values of Substituents on N-Phenyl-pyrazoles.

0737 J. Elguero, Rev. Real Acad. Ciencias , 88 361-363 (1994) Fenómenos dinámicos en cristales: sinergia entre cristalografía de rayos X y resonancia magnética nuclear de alta resolución en sólidos.

0738 C. López, R. M. Claramunt, C. Foces-Foces, F. H. Cano, J. Elguero, Rev. Roum. Chim ., 9 795-805 (1994) Protonation of Tetrakis(pyrazol-1-yl)borate in the Solid State and in Solution.

0739 M. A. Monge, E. G. Puebla, J. Elguero, C. Toiron, W. Meutermans, I. Sobrados, Spectrochim Acta , 50A 727-734 (1994) An X-Ray and 13 C CP/MAS NMR Study of C,C -Linked Bipyrazoles and Bis-Pyrazolyl-methanes.

54 0740 A. Echevarría, J. Elguero, A. L. Llamas-Saiz, C. Foces-Foces, G. Schultz, I. Hargittai Struct. Chem ., 5 255-264 (1994) Tris(pyrazol-1-yl)-s-Triazine (TPT): X-Ray Crystallographic, Computational, and Gas-Phase Electron Diffraction Study.

0741 A. L. Llamas-Saiz, C. Foces-Foces, J. Elguero, W. Meutermans, Supramolec. Chem ., 4 53-62 (1994) Crystalline Hosts Derived from Pyrazole Carboxylic Acids. X-Ray Crystal Structures of 4-Nitropyrazole-3,5- Dicarboxylic Acid and its Sodium Salts Including Dioxane Molecules.

0742 A. Martínez, J. Elguero, O. Mó, M. Yáñez, J. Mol. Struct. (Theochem) , 309 45-52 (1994) An Ab Initio Study of the Azoniaspiro[2.2]pentane Cation (Aziridine-Aziridinium Ion)

0743 O. Mó, M. Yáñez, J. Elguero, J. Mol. Struct. (Theochem) , 314 73-81 (1994) Cooperative Effects in the Cyclic Trimer of Methanol. An Ab Initio Molecular Orbital Study.

0744 C. Escolástico, M. D. Santa Maria, R. M. Claramunt, M. L. Jimeno, I. Alkorta, C. Foces Foces, F. H. Cano, J. Elguero, Tetrahedron , 50 12489-12510 (1994) Imidazole and Benzimidazole Addition to Quinones. Formation of Meso and D,L -Isomers and Crystal Structure of the D,L Isomer of 2,3-Bis (Benzimidazol-1'-yl)-1,4-Dihydroxy-benzene.

0745 P. Cabildo, R. M. Claramunt, I. Forfar, J. Elguero, Tetrahedron Lett ., 35 183-184 (1994) Regioselective Adamantylation of N-Unsubstituted Pyrazole Derivatives.

Año 1995 (34 publicaciones)

0746 A. L. Llamas-Saiz, C. Foces-Foces, A. Echevarría, J. Elguero, Acta Crystallogr., Sect. C , 51C 1401-1404 (1995) The Relative Basicities of Tris(Pyrazol-1-yl)-1,3,5-Triazine (TPT), Water and the Picrate Anion in the Solid State.

0747 R. M. Claramunt, J. Dotor, J. Elguero An. Quim ., 91 151-183 (1995) Revisión: Estructura, reactividad y síntesis de perimidinas y de sus derivados (dihidro-perimidinas y perimidinonas).

0748 J. Catalán, J. L. Saiz, J. L. Laynez, N. Jagerovic, J. Elguero Angew. Chem. Int. Ed. Engl ., 34 105-107 (1995) The Colors of C 60 Solutions.

0749 J. Elguero, M. Gil, N. Iza, C. Pardo, M. Ramos Applied Spectrosc ., 49 1111-1119 (1995) FT-IR and 13 C-NMR Correlations for some N-Substituted Azoles and Benzazoles.

0750 C. Cativiela, J. I. García, J.-P. Fayet, J. Elguero Bull. Soc. Chim. Belg ., 104 383-386 (1995) Studies in the Azole Séries. CIV. Experimental and Calculated Dipole Moments of 3(5)-Phenylpyrazoles.

0751 J.-L. Aubagnac, R. M. Claramunt, J. Elguero, I. Gilles, D. Sanz, S. Trofimenko, A. Virgili Bull. Soc. Chim. Belg ., 104 473-482 (1995) Structural Characterization of Paramagnetic Octahedral Homo-Scorpionate (Polypyrazolylbo-rate) Cobalt Complexes by 1 H and 13 C NMR Spectroscopy and by FAB-Mass Spectrometry.

0752 J. Elguero, A. Fruchier, E. M. Tjiou, S. Trofimenko Chem. Het. Comp ., ---- 1006-1026 (1995) 13 C NMR of Indazoles (Versión Inglesa)

55 0753 R. M. Claramunt, C. López, C. Jaime, A. Virgili, C. Marco, J. Elguero Heterocycles , 40 175-186 (1995) The Conformation of Trispyrazolylmethanes: An Experimental and Theoretical Study.

0754 C. Cativiela, J. A. Galvez, J. I. García, F. Aguilar-Parrilla, J. Elguero Heterocycl. Commun ., 1 157-166 (1995) Structure of 4-Undecylpyrazole in the Solid State: A 13 C and 15 N CPMAS NMR Study.

0755 A. El Hammadi, M. El Mouhtadi, R. Notario, J.-L. M. Abboud, J. Elguero J. Chem. Res ., M 1080-1096 (1995) Theoretical Calculations on Pyrazole Derivatives. Part 1. The Effect of C-Substituents on the Protonation Enthalpies of 102 NH-Pyrazoles and 54 N-Methylpyrazoles.

0756 A. Monge, E. Gutiérrez-Puebla, R. M. Claramunt, C. López, J. Elguero J. Chem. Res. M 2347-2363 (1995) Molecular Structure of Pirkle’s Alcohol Dimer.

0757 F. Toda, K. Tanaka, L. Infantes, C. Foces-Foces, R. M. Claramunt, J. Elguero J. Chem. Soc., Chem. Commun ., ---- 1453-1454 (1995) 2 Optical Resolution of 1,3-Dimethyl-∆ -pyrazoline by Diastereoisomeric Complex Formation with an Optically Active Host Compound: X-Ray and Molecular Structure of the Complex.

0758 R. Notario, J. Elguero J. Chem. Soc., Chem. Commun ., ---- 1543-1544 (1995) Harnessing Steric Strain to obtain Superbases.

0759 A. El Hammadi, M. E. Mouhtadi, R. Notario, A. Werner, J. Elguero J. Chem. Soc., Perkin Trans. 2 , ---- 379-383 (1995) + + Theoretical Calculations on Pyrazole Derivatives. Part 2. Effect of Cationic C-Substituents (NH 3 and N 2 ) on the Basicity and Tautomerism of Pyrazoles.

0760 A. L. Llamas-Saiz, C. Foces-Foces, A. Martínez, J. Elguero J. Chem. Soc., Perkin Trans. 2 , ---- 923-927 (1995) Semiempirical (AM1, PM3 and SAM1) Calculations of the Protonation Enthalpies of Proton Sponges Related To 1,8-Diaminonaphthalene. Estimation of the Aqueous Basicity of new Designed Superbases.

0761 C. Foces-Foces, A. L. Llamas-Saiz, R. M. Claramunt, N. Jagerovic, M. L. Jimeno, J. Elguero J. Chem. Soc., Perkin Trans. 2 , ---- 1359-1363 (1995) Aromatic Propellenes. Part 1. NMR Spectroscopy, X-Ray Crystal and Molecular Structure of Hexa(3,5- Dimethylpyrazol-1-yl)benzene.

0762 A. L. Llamas-Saiz, C. Foces-Foces, D. Sanz, R. M. Claramunt, J. Dotor, J. Elguero, J. Catalán, J. C. del Valle J. Chem. Soc., Perkin Trans. 2 , ---- 1389-1398 (1995) 2-Arylperimidine Derivatives. Part 1. Synthesis, NMR Spectroscopy, X-Ray Crystal and Molecular Structures.

0763 R. M. Claramunt, P. Cozzini, P. Domiano, J. Elguero, I. Forfar, A. Fruchier J. Chem. Soc., Perkin Trans. 2 , ---- 1875-1881 (1995) Structure of 3-Amino-4,5-dihydropyrazoles in Acid Media: X-Ray Structure of 3-Amino-1-phenyl-4,5- dihydropyrazol-2-ium Picrate and the Origin of Broad Signals in 1H NMR Spectroscopy.

0764 A. L. Llamas-Saiz, C. Foces-Foces, O. Mó, M. Yáñez, E. Elguero, J. Elguero J. Comput. Chem ., 16 263-272 (1995) The Geometry of Pyrazole: A Test For Ab Initio Calculations.

0765 J. Elguero, N. Jagerovic, C. Foces-Foces, F. H. Cano, M. V. Roux, F. Aguilar-Parrilla, H.-H. Limbach J. Heterocycl. Chem ., 32 451-456 (1995) Solid State Structure of NH-Pyrazoles Not Easily Amenable to Crystal Structure Determi-nations: The Case of 3(5)-Phenyl-5(3)-methylpyrazole and 3,5-Diphenyl-4-Methylpyrazole.

0766 N. Jagerovic, A. Fruchier, J. Elguero J. Heterocycl. Chem ., 32 1829-1831 (1995)

56 1 19 Synthesis and H, F NMR Spectroscopic Characterization of (Pentafluoro) 3-n (Pyrazol-1-yl- Tetrafluorophenyl) n=1,2 Porphyrins.

0767 S. Blanco, J. C. López, J. L. Alonso, O. Mó, M. Yáñez, N. Jagerovic, J. Elguero J. Mol. Struct ., 344 241-250 (1995) Microwave Spectra and Ab Initio Calculations of 1-Nitropyrazole

0768 C. Fernández-Castaño, C. Foces-Foces, N. Jagerovic, J. Elguero, J. Mol. Struct ., 355 265-271 (1995) The X-Ray Crystal and Molecular Structure of 3,5-Di-Tert -Butyl-pyrazole Hydrochloride at 200 K.

0769 F. Aguilar-Parrilla, H.-H. Limbach, C. Foces-Foces, F. H. Cano, N. Jagerovic, J. Elguero, J. Org. Chem ., 60 1965-1970 (1995) Structure and Dynamics of 3,5-Di-Tert -Butylpyrazole Probed by Combined X-Ray Crystallography and 15 N Solid State NMR.

0770 J. Catalán, J. C. del Valle, R. M. Claramunt, M. D. Santa María, V. Bobosik, R. Mocelo, J. Elguero, J. Org. Chem ., 60 3427-3439 (1995) Toward the Photostability Mechanism of Intramolecular Hydrogen Bond Systems. 4. 3(5)-(1’-Hydroxy-2’- naphthyl)pyrazoles and 3(5)-(2’-Hydroxy-1’-naphthyl)pyrazoles.

0771 C. López, D. Sanz, R. M. Claramunt, S. Trofimenko, J. Elguero, J. Organometal. Chem ., 503 265-276 (1995) An 1H and 13 C NMR Spectroscopic Study of the Structure of Potassium and Thallium Salts of Tris- and Tetrakis-(Pyrazol-1-yl)borates in Solution. Some 13 C-11 B and 13 C-205 Tl Residual Coupling Constants.

0772 J. Elguero, A. Fruchier, E. M. Tjiou, S. Trofimenko Khim. Geterotsikl. Soedin ., ---- 1159-1179 (1995) 13 C NMR of Indazoles (A Review).

0773 J. Elguero, A. Fruchier, N. Jagerovic, A. Werner Org. Prep. Proc. Int ., 27 33-74 (1995) Trifluoromethyl and Perfluoroalkyl Derivatives of Azoles. A Review.

0774 J.-L. Aubagnac, I. Gilles, R. M. Claramunt, C. Escolastico, D. Sanz, J. Elguero Rapid Commun. Mass Spectrom. 9 156-159 (1995) Reduction of Aromatic Fluorine Compounds in Fast-Atom Bombardment Mass Spectrometry.

0775 G. Pfister-Guillouzo, F. Gracián, J. A. Páez, C. García-Gómez, J. Elguero Spectrochim. Acta , 51A 1801-1807 (1995) Study of 1-Hydroxybenzotriazole/Benzotriazole N-Oxide in the Gas Phase by Photoelectron Spectroscopy.

0776 A. Werner, A. Sanchez-Migallón, A. Fruchier, J. Elguero, C. Fernandez-Castaño, C. Foces-Foces Tetrahedron , 51 4779-4800 (1995) Porphyrins with four Azole Substituents in Meso Positions: X-Ray Crystal Structure of Meso -Tetrakis-(1- Benzylpyrazol-4-yl)-Porphyrin at 200 K.

0777 D. Kumar, S. P. Singh, A. Martínez, A. Fruchier, J. Elguero, M. Martínez-Ripoll, J. Server Carrio, A. Virgili Tetrahedron , 51 4891-4906 (1995) The Structure of the Compounds Resulting From the Reaction of Arylhydrazines with Dehydroacetic Acid: An NMR and Crystallographic Study.

0778 O. Mó, M. Yáñez, A. L. Llamas-Saiz, C. Foces-Foces, J. Elguero Tetrahedron , 51 7045-7062 (1995) Ab Initio Study of the Effect of N-Substituents on Properties of Pyrazoles.

0779 H. Al-Awadhi, F. Al-Omran, M. H. Elnagdi, L. Infantes, C. Foces, N. Jagerovic, J. Elguero Tetrahedron , 51 12745-12762 (1995) New Synthetic Approaches to Condensed Pyridazinones: Alkyl-Pyridazinyl Carbonitriles as Building Blocks for the Synthesis of Condensed Pyridazinones.

57 Año 1996 (42 publicaciones)

0780 J. Elguero, S. Vega, M.-R. Van Clasteren, C. K. Jankowski An. Real. Acad. Farm ., 62 73-80 (1996) Complete Assignment of the 13 C-NMR Spectra of Taclamine and Butaclamol

0781 J. Elguero, N. Campillo, J. A. Páez An. Real. Acad. Farm ., 62 303-321 (1996) Analgésicos no convencionales: Epibatidina , un potente analgésico nicotínico.

0782 G. I. Yranzo, J. D. Pérez, M. A. Ferraris, R. M. Claramunt, P. Cabildo, D. Sanz, J. Elguero An. Quim. Int. Ed ., 92 3-6 (1996) Flash Vacuum Pyrolysis of Adamantylazoles. Part II. Pyrazoles.

0783 O. Hager, C. Foces-Foces, N. Jagerovic, J. Elguero, S. Trofimenko Acta Crystallogr., Sect. C , 52C 2894-2896 (1996) 5-Phenylindazole.

0784 C. T. Supuran, R. M. Claramunt, J. L. Lavandera, J. Elguero Biol. Pharm. Bull ., 19 1417-1422 (1996) Carbonic Anhydrase Activators. XV. A Kinetic Study of the Interaction of Bovine Isozyme II With Pyrazoles, Bis- and Tris-azolyl-methanes

0785 J. Elguero, M. Norte, C. Pardo, M. Ramos Bull. Soc. Chim. Belg ., 105 355-358 (1996) The Nitration of 2-Phenylindazole.

0786 J. Elguero, A. Fruchier, A. de la Hoz, F. A. Jalón, B. R. Manzano, A. Otero, F. Gómez-de la Torre Chem. Ber ., 129 589-594 (1996) Synthesis, Characterization and Dynamic Behaviour of ( π-Allyl) Palladium Complexes With Polydentate Nitrogen Ligands, Evidence of a Dissociative Mechanism.

0787 I. Alkorta, J. Elguero, C. Foces-Foces Chem. Commun ., ---- 1633-1634 (1996) Dihydrogen Bonds (A-H···H-B).

0788 C. Janiak, T. G. Scharmann, J. C. Green, R. P. G. Parkin, M. J. Kolm, E. Riedel, W. Mickler, J. Elguero, R. M. Claramunt, D. Sanz Chem. Eur. J ., 2 992-1000 (1996) Effects of Nitrogen Substitution in Poly (Pyrazolyl) Borato Ligands: From Orbital Energy Levels to C-H... O Hydrogen Bonding.

0789 J. A. Páez, N. Campillo, J. Elguero Gazz. Chim. Ital ., 126 307-313 (1996) Empirical Modelling of Solvent Polarity Scales.

0790 R. Donoso, J. Elguero, P. Goya, M. P. Jordán, J. Lissavetzky Het. Commun ., 2 17-20 (1996) Carbon-13 NMR Chemical Shifts of Alkyl-3-hydroxythiophene-2-carboxylates and 3-Alkylamino-1-(3- thienyloxy)-2-propanols.

0791 C. Foces-Foces, C. Cativiela, J. L. Serrano, M. M. Zurbano, N. Jagerovic, J. Elguero J. Chem. Crystallogr ., 26 127-131 (1996) Molecular Structure of 4-p-Hydroxyphenyl-3,5-dimethylpyrazole Monohydrate.

0792 C. Foces-Foces, C. Cativiela, M. M. Zurbano, N. Jagerovic, J. Elguero J. Chem. Crystallogr ., 26 575-580 (1996) Molecular Structure of 4-(3,5-Dimethylpyrazol-1-yl) Benzoic Acid Trifluoroacetate

0793 J. Catalán, J. L. G. de Paz, J. Elguero J. Chem. Soc., Perkin Trans. 2 , ---- 57-60 (1996) Importance of Aromaticity on the Relative Stabilities of Indazole Annular Tautomers: An Ab Initio Study.

58 0794 C. Foces-Foces, L. Infantes, F. Aguilar-Parrilla, N. S. Golubev, H.-H. Limbach, J. Elguero J. Chem. Soc., Perkin Trans. 2 , ---- 349-353 (1996) Mixed Crystals of Pyrazoles and Benzoic Acids. Part I. The Molecular Structure of 3,5-Dimethylpyrazole- 2,4,6-Trimethylbenzoic Acid Co-Crystals.

0795 N. Jagerovic, J. Elguero, J.-L. Aubagnac J. Chem. Soc., Perkin 1 (Commun) , ---- 499-499 (1996) Cycloaddition of Tetracyanoethylene Oxide with [60]Fullerene

0796 P. Cabildo, R. M. Claramunt, P. Cornago, J. L. Lavandera, D. Sanz, N. Jagerovic, M. L. Jimeno, J. Elguero, I. Gilles, J.-L. Aubagnac J. Chem. Soc., Perkin Trans. 2 , ---- 701-712 (1996) Synthesis, Structure (NMR and Mass Spectromery) and Conformational analysis of Heterocyclic Analogues of Dibenzo[ a,e ]cycloocta-1,5-diene: 5,6,12,13-Tetrahydro-bispyrazolo[1,2-a:1',2'-e][1,2,5,6]tetraazocinediium.

0797 S. P. Singh, D. Kumar, D. Kumar, A. Martínez, J. Elguero J. Heterocycl. Chem ., 33 323-326 (1996) Conformation and ortho Steric Effects in a Séries of 2-(Pyrazol-1-yl) Quinolines.

0798 J.-P. Hanoun, R. Faure, J.-P. Galy, J. Elguero J. Heterocycl. Chem ., 33 747-750 (1996) Azapentalènes. Part 45. Azido/Tetrazole Equilibrium in the Thioacridinone Series.

0799 J.-P. Galy, S. Morel, G. Boyer, J. Elguero J. Heterocycl. Chem ., 33 1551-1560 (1996) Review: Tetracyclic Derivatives of Acridine. Heterofused Acridines.

0800 C. G. Hoelger, F. Aguilar-Parrilla, J. Elguero, O. Weintraub, S. Vega, H.-H. Limbach J. Magn. Res., Ser. A , 1 46-55 (1996) 15 N Chemical-Shift Tensors and Hydrogen-Bond Geometries of 3,5-Substituted Pyrazoles and Their Orientation in the Molecular Frame.

0801 I. Alkorta, I. Rozas, J. Elguero, C. Foces-Foces, F. H. Cano J. Mol. Struct ., 382 205-213 (1996) A Statistical Survey of the Cambridge Structural Data Base Concerning Density and Packing.

0802 P. Molina, M. Alajarín, P. Sánchez-Andrada, J. Server Carrió, M. Martínez-Ripoll, J. E. Anderson, M. L. Jimeno, J. Elguero J. Org. Chem ., 61 4289-4299 (1996) New Models for the Study of the Racemization Mechanism of Carbodiimides. Synthesis and Structure (X-Ray Crystallography and 1H NMR) Of Cyclic Carbodiimides.

0803 J.-L. M. Abboud, M. Herreros, R. Notario, O. Mó, M. Yáñez, M. Regitz, J. Elguero J. Org. Chem ., 61 7813-7818 (1996) Tetraphosphacubane: An Unexpectedly Strong Base in the Gas Phase.

0804 I. Alkorta, J. Elguero J. Phys. Chem ., 100 19367-19370 (1996) Carbenes and Silylenes as Hydrogen Bond Acceptors

0805 J.-L. M. Abboud, C. Foces-Foces, M. Herreros, H. Homan, L. Infantes, R. Notario, A. W. Krebs, J. Neubauer, J. Elguero, N. Jagerovic J. Phys. Org. Chem., 9 79-86 (1996) Gas-Phase (Ion Cyclotron Resonance Spectrometric) and Solid-State (Crystallographic) Studies of Highly Substituted Pyrazoles.

0806 C. Foces-Foces, A. L. Llamas-Saiz, C. Escolástico, R. M. Claramunt, J. Elguero J. Phys. Org. Chem ., 9 137-144 (1996) Aromatic Propellenes. Part 2. Study of Conformational Isomerism of Hexa(Pyrazol-1-yl) Benzene: X-Ray Crystallography and Semiempirical Calculations.

0807 F. Toda, T. Tanaka, C. Foces-Foces, L. Infantes, R. M. Claramunt, C. López, J. Elguero

59 J. Phys. Org. Chem ., 9 611-618 (1996) Host-Guest Chemistry. The Structure and Proton Disorder of the Three-Component Crystal Formed by 3(5)- Methyl-4-Nitropyrazole, (R,R )-(-)-Trans 4,5-Bis(Hydroxydiphenylmethyl)-2,2-Dimethyl-1,3-Dioxolane and Toluene

0808 C. Foces-Foces, C. Fernández-Castaño, R. M. Claramunt, C. Escolástico, J. Elguero J. Phys. Org. Chem ., 9 717-727 (1996) Aromatic Propellenes. Part 3. NMR, X-Ray Crystallography and Semi- Empirical Calculations on the Conformational Isomerism of 1,2,4,5- Tetrakis(Pyrazol-1'-yl)-3,6-Bis(3",5"-Dimethylpyrazol-1'-yl)benzene.

0809 M. L. Jimeno, J. Elguero, D. Carmona, M. P. Lamata, E. San José Magn. Reson. Chem ., 34 42-46 (1996) 1H NMR Study of the Conformation of Metallapentacycles N-C-C-O-M [M = Rh(III) and Ir(III) Resulting in a Karplus-Type Relationship for Vicinal H-C(sp 3)-N(sp 3)-H Coupling Constants.

0810 J. Cudero, P. Jimenez, C. Marcos, C. Pardo, M. Ramos, J. Elguero, A. Fruchier Magn. Reson. Chem ., 34 318-322 (1996) 1H and 13 C NMR Studies of Heterociclycally Modified Tröger's Bases.

0811 C. Pardo, M. Ramos, A. Fruchier, J. Elguero Magn. Reson. Chem ., 34 708-710 (1996) Complete 1H and 13 C NMR Analysis of an Asymmetric Tröger's Base.

0812 D. Sanz, R.M. Claramunt, J. Glaser, S. Trofimenko, J. Elguero Magn. Reson. Chem ., 34 843-846 (1996) Multinuclear Magnetic Resonance ( 1H, 11 B, 13 C, 15 N and 205 Tl) Study of Thallium Hydridotris(3,5- dimethylpyrazol-1-yl)borate.

0813 C. López, R. M. Claramunt, A. L. Llamas-Saiz, C. Foces-Foces, J. Elguero, I. Sobrados, F. Aguilar-Parrilla, H.-H. Limbach New J. Chem ., 20 523-536 (1996) X-Ray Diffraction and Solid State NMR Studies of 1,8-Bis(dimethylamino) Naphthalene and its Complexes with Picric and Hexafluorophosphoric Acids.

0814 N. Jagerovic, I. Alkorta, J. Elguero, C. Fernández-Castaño, C. Foces-Foces, A. L. Llamas-Saiz New. J. Chem ., 20 1081-1086 (1996) Hexadeca(pyrazol-1-yl)phthalocyanine: A Soluble Phthalocanine Absorbing at 780 nm.

0815 P. Cabildo, R. Claramunt, D. Sanz, J. Elguero, C. Enjalbal, J.-L. Aubagnac Rapid Commun. Mass Spectrom ., 10 1071-1075 (1996) Reduction by Electron and Hydride Attachment to Doubly Charged Heterocyclic Cations in Fast-Atom Bombardment Mass Spectrometry. Influence of the Matrix.

0816 S. García-Granda, B. Tejerina, A. Fruchier, N. Jagerovic, J. Elguero Struct. Chem ., 7 245-251 (1996) 19 31 1 F, P, H NMR and X-Ray Crystallographic Studies of (Pentafluorophenyl) 3-n 4-Pyrazol-1-yl-2,3,5,6- Tetrafluorophenyl) n=1,2,3 Phosphines

0817 E. Alcalde, P. Pacheco, J. Elguero S. React. Inorg. Met.-Org. Chem ., 26 1279-1294 (1996) Ruthenium Complexes of Macrocyclic Ligands Containing four Azole Units: [1 4]Meta Heterophanes

0818 N. Jagerovic, J. Elguero, J.-L. Aubagnac Tetrahedron , 52 6733-6738 (1996) Reaction of 2-Azidobenzothiazole and 1-Azido-4-(3',5'-dimethyl-1'-pyrazolyl) Tetrafluoro-benzene with [60]Fullerene and Characterization of the Adducts by FAB-Mass Spectrometry.

0819 A. Sánchez-Migallón, A. de la Hoz, M. Begtrup, C. Fernández-Castaño, C. Foces-Foces, J. Elguero Tetrahedron , 52 10811-10822 (1996) Porphyrins with four Azole Substituents in Meso Positions. Part 2. X-Ray Crystal Structure of Meso- Tetrakis{1-[2-(Trimethylsilyl)ethoxymethyl]pyrazol-5-yl}-Porphyrin at 200 K.

60 0820 P. Cornago, C. Escolástico, M. D. Santa María, R. M. Claramunt, C. Fernández-Castaño, C. Foces-Foces, J.-P. Fayet, J. Elguero Tetrahedron , 52 11075-11094 (1996) Aromatic Propellenes. Synthesis, X-Ray Structures and Conformational Study of Polypyrazolylpyridines.

0821 L. Gonzalez, O. Mó, M. Yáñez, J. Elguero Theochem , 371 1-10 (1996) Cooperative Effects in Water Trimers. The Performance of Density Functional Approaches.

Año 1997 (41 publicaciones)

0822 M. Sergent, R. Phan Tan Luu An. Quim. Int. Ed ., 93 71-75 (1997) Statistical Analysis of Solvent Scales. Part 1.

0823 C. Foces-Foces, Ch. Fontenas, J. Elguero, I. Sobrados An. Quim. Int. Ed ., 93 219-224 (1997) Tautomerism of Pyrazolinones in the Solid State: The Case of 1-Aryl- 3-methyl-3-pyrazolin-5-ones. An X-Ray and CPMAS Study.

0824 M. Sergent, R. Phan Tan Luu, R. Faure, J. Elguero An. Quim. Int. Ed ., 93 295-300 (1997) Statistical Analysis of Solvent Scales. Part 2.

0825 M. Sergent, R. Phan Tan Luu, J. Elguero An. Quim. Int. Ed ., 93 371-375 (1997) The "Informative" Approach to Statistical Analysis of Aromatic Substituent Parameters.

0826 J. Elguero, I. Rozas An. Real Acad. Farm ., 63 173-190 (1997) Analgésicos no convencionales: antagonistas de la bradiquinina .

0827 L. E. Ochando, J. Rius, D. Louër, R. M. Claramunt, C. López, J. Elguero, J. M. Amigó Acta Crystallogr. Ser. B , 53B 939-944 (1997) Phase Transitions in Tris(3,5-Dimethylpyrazol-1-yl) Methane. The Structure of the High-Temperature Phase From X-Ray Powder Diffraction.

0828 F. Aguilar-Parrilla, O. Klein, J. Elguero, H.-H. Limbach Ber. Bunsenges. Phys. Chem ., 101 889-901 (1997) A Dynamic 15 N NMR Study of Kinetic Hydrogen/Deuterium Isotope and Tunnel Effects on the Triple Proton Transfer in Crystalline 3,5-Dimethylpyrazole.

0829 M. Suárez, E. Salfrán, R. I. Rodríguez-Curiel, J. Elguero Bull. Soc. Chim. Belg ., 106 211-214 (1997) Meso -Tetra-Dialkylaminomethylenebenzamidoporphyrins.

0830 M. Suárez, E. Salfrán, R. I. Rodríguez-Curiel, F. Gaudemer, J. Elguero Bull. Soc. Chim. Belg ., 106 323-326 (1997) The Reactivity of Meso -Tetra-(Pentafluorophenyl)Porphyrin with N-Butylamine.

0831 J. L. Lavandera, R. M. Claramunt, C. Escolástico, M. D. Santa María , P. Cornago , J. Elguero Bull. Soc. Chim. Belg ., 106 387-391 (1997) Propellenes. 7. DHPLC: Dynamic High Performance Liquid Chromatography. Application to Polypyrazolylbenzenes.

0832 C. Foces-Foces, O. Hager, N. Jagerovic, M. L. Jimeno, J. Elguero Chem. Eur. J ., 3 121-126 (1997) The Unusual Properties of 5-Methyl-4,5,6,7-Tetrahydro-1H-Indazole in the Solid State.

0833 I. Rozas, I. Alkorta, J. Elguero Chem. Phys. Lett ., 275 423-428 (1997) Field Effects on Dihydrogen Bonded Systems.

61 0834 O. Mó, M. Yáñez, J. Elguero J. Chem. Phys ., 107 3592-3601 (1997) Study of the Methanol Trimer Potential Energy Surface.

0835 J. L. G. de Paz, J. Elguero, C. Foces-Foces, A. L. Llamas-Saiz, F. Aguilar- Parrilla, O. Klein, H.-H. Limbach J. Chem. Soc., Perkin Trans. 2 , ---- 101-109 (1997) Theoretical Study of The Structure and Tautomerism of N1-Unsubstituted Pyrazoles in the Solid State.

0836 R. M. Claramunt, M. D. Santa María, I. Forfar, F. Aguilar-Parrilla, M. Minguet-Bonvehí, O. Klein, H.-H. Limbach, C. Foces-Foces, A. L. Llamas-Saiz, J. Elguero J. Chem. Soc., Perkin Trans. 2 , ---- 1867-1875 (1997) Molecular Structure and Dynamics of C-1-Adamantyl Substituted N-Unsubstituted Pyrazoles Studied by Solid State NMR Spectroscopy and X-Ray Crystallography.

0837 C. Foces-Foces, A. L. Llamas-Saiz, C. Fernández-Castaño, R. M. Claramunt, C. Escolástico, J. L. Lavandera, M. D. Santa-Marïa, M. L. Jimeno, J. Elguero J. Chem. Soc., Perkin Trans. 2 , ---- 2173-2177 (1997) Aromatic Propellenes. Part 8. Semiempirical Calculations and DNMR Studies of Hexakis (Pyrazol-1- yl)benzenes.

0838 P. Cabildo, R. Claramunt, J. L. Lavandera, D. Sanz, J. Elguero, C. Enjalbal, J.-L. Aubagnac J. Heterocycl. Chem ., 34 367-374 (1997) Positive Ions and Negative Ions FAB (Fast Atom Bombardment) Mass Spectrometry of Some Bisazolium Salts.

0839 J.-P. Galy, J.-P. Hanoun, V. Pique, N. Jagerovic, J. Elguero J. Heterocycl. Chem ., 34 1781-1787 (1997) Pyridinium Betaines Derived from Thiazolo and Imidazoacridinones.

0840 C. Foces-Foces, L. Infantes, R. M. Claramunt, C. López, N. Jagerovic, J. Elguero J. Mol. Struct ., 415 81-92 (1997) Solid-State Structure of NH-Pyrazolium Hydrochlorides and Hydrobromides by X-Ray Crystallography and 13 C CPMAS NMR.

0841 C. Foces-Foces, L. Infantes, R. M. Claramunt, C. López, N. Jagerovic, J. Elguero J. Luminiscence 75 17-26 (1997) Photophysics of the 2-(2'-hydroxyphenyl)perimidines: Photostability studies.

0842 I. Alkorta, I. Rozas, J. Elguero J. Org. Chem ., 62 4687-4691 (1997) An Attractive Interaction Between the π-Cloud of C 6F6 and Electron-Donor Atoms.

0843 I. Rozas, I. Alkorta, J. Elguero J. Phys. Chem. A , 101A 4236-4244 (1997) Inverse Hydrogen-Bonded Complexes.

0844 I. Rozas, I. Alkorta, J. Elguero J. Phys. Chem. A , 101A 9457-9463 (1997) Unusual Hydrogen Bonds: H··· π Interactions.

0845 M. Ramos, I. Alkorta, J. Elguero, N. S. Golubev, G. S. Denisov, H. Benedict, H.-H. Limbach J. Phys. Chem., A , 101A 9791-9800 (1997) A Theoretical Study of The Influence of Electric Fields on Hydrogen Bonded Acid-Base Complexes.

0846 C. Foces-Foces, A. L. Llamas-Saiz, M. Menéndez, N. Jagerovic, J. Elguero J. Phys. Org. Chem ., 10 637-645 (1997) Structure of 3-Nitropyrazole in Solution and in the Solid State.

0847 A. M. S. Silva, J. A. S. Cavaleiro, J. Elguero Liebigs Ann./Recueil , ---- 2065-2068 (1997) Oxidation of 4-Alkyl-2'-Hydroxy-2-Cinnamylideneacetophenones with Thallium(III) Trinitrate: A New Synthesis of ( E)-3-Styrylchromones

62 0848 R. M. Claramunt, D. Sanz, C. López, J. A. Jiménez, M. L. Jimeno, J. Elguero, A. Fruchier Magn. Reson. Chem ., 35 35-75 (1997) Reference Data Review. Substituent Effects on the 15 N NMR Parameters of Azoles.

0849 C. Fernández-Castaño, C. Foces-Foces, F. H. Cano, R. M. Claramunt, C. Escolastico, A. Fruchier, J. Elguero New J. Chem ., 21 195-213 (1997) The Structure, Conformation and Molecular Packing of Pyrazolyl-Fluorobenzenes and Their Inclusion Compounds.

0850 J. M. Orza, O. Mó, M. Yáñez, J. Elguero Spectrochim. Acta, Part A , 53 1383-1398 (1997) Vibrational Spectra of N-Methylpyrazole: An Experimental and Theoretical Study.

0851 I. Alkorta, J. Elguero Structural Chem ., 8 189-195 (1997) Tautomerisn and The Mills-Nixon-Like Effect in Pyrazoles.

0852 J. Elguero, C. Jaramillo, C. Pardo Synthesis , ---- 563-566 (1997) Palladium(0)-Catalyzed Preparation of 4-Arylpyrazoles.

0853 R. M. Claramunt, S. Trofimenko, I. Rozas, J. Elguero Spectrosc. Int. J ., 13 113-123 (1997) Azapentalènes. XLIV. 1H and 13 C NMR Study of Mesoionic Pyrazolo[1,2-a] Pyrazoles.

0854 M. L. Jimeno, N. Jagerovic, J. Elguero, T. Junk, W. J. Catallo Spectrosc. Int. J ., 13 291-294 (1997) 1H and 13 C NMR Study of Perdeuterated Pyrazoles.

0855 M. Ramos, I. Alkorta, J. Elguero Tetrahedron , 53 1403-1410 (1997) The Mills-Nixon Effect on Enol-Enol Tautomerism in β-Dicarbonyl Compounds and on Annular Tautomersim in NH-Pyrazoles: A Semi Empirical Study.

0856 J. Cudero, C. Pardo, M. Ramos, E. Gutiérrez-Puebla, A. Monge, J. Elguero Tetrahedron , 53 2233-2240 (1997) Synthesis and Molecular Structure of Heterocyclic Tröger's Bases Derived from C-Amino Heterocycles.

0857 E. Díez-Barra, J. Dotor, A. de la Hoz, C. Foces-Foces, C. Enjalbal, J.-L. Aubagnac, R. M. Claramunt, J. Elguero Tetrahedron , 53 7689-7704 (1997) N,N'-Linked 1,2-Ethanediyl-Poly(benzimidazolin-2-ones) and the X-Ray Structure of a Benzimidazolin-2-one Trimer.

0858 I. Alkorta, J. Elguero Tetrahedron , 53 9741-9748 (1997) Carbon Acidity and Ring Strain: A Hybrid HF-DFT Approach (Becke3LYP/6-311++G**).

0859 J. Quiroga Puello, B. Insuasty Obando, C. Foces-Foces, L. Infantes, R. M. Claramunt, P. Cabildo, J. A. Jiménez, J. Elguero, Tetrahedron , 53 10783-10802 (1997) Structure and Tautomerism of 3(5)-Amino-5(3)-Arylpyrazoles in the Solid State and in Solution: An X-Ray and NMR Study.

0860 A. M. S. Silva, L. M. P. M. Almeida, J. A. S. Cavaleiro, C. Foces-Foces. A. L. Llamas-Saiz, C. Fontenas, N. Jagerovic, J. Elguero, Tetrahedron , 53 11645-11658 (1997) Synthesis and Molecular Structure of New O/N/O Ligands: Bis-Phenol- Pyridine and Bis-Phenol-Pyrazole

0861 A. C. Tomé, R. F. Enes, J. A. S. Cavaleiro, J. Elguero, Tetrahedron Lett ., 38 2557-2560 (1997) Pyrimidine and Pyrimidone Derivatives of [60]Fullerene

63 0862 T. Junk, W. J. Catallo, J. Elguero, Tetrahedron Lett ., 38 6309-6312 (1997) Synthèses in Superheated Aquous Media: Preparation of Fully Deuterated Pyrazoles and Quinoxalines.

Año 1998 (35 publicaciones)

0863 C. López, P. Lorente, R. M. Claramunt, J. Marín, C. Foces-Foces, A. L. Llamas-Saiz, J. Elguero, H.-H. Limbach, Ber. Bunsen. Phys. Chem ., 102 414-418 (1998) Localization of Hydrogen Bond Deuterons in Proton Sponges by Dipolar Solid State 15 N NMR Spectroscopy.

0864 I. Alkorta, I. Rozas, J. Elguero, Ber. Bunsen. Phys. Chem ., 102 429-435 (1998) Radicals as Hydrogen Bond Acceptors.

0865 I. Alkorta, I. Rozas, J. Elguero, Chem. Soc. Rev ., 27 155-162 (1998) Non-Conventional Hydrogen Bonds.

0866 A. M. S. Silva, D. C. G. A. Pinto, H. R. Tavares, J. A. S. Cavaleiro, M. L. Jimeno, J. Elguero, Eur. J. Org. Chem ., ---- 2031-2038 (1998) Novel ( E) and ( Z)-Styrylchromones from ( E,E )-2'-Hydroxycinnamylidene-acetophenones - Xanthones from Daylight Photooxidative Cyclization of ( E)-2-Styrylchromones.

0867 R. M. Claramunt, D. Sanz, M. D. Santa María, J. A. Jiménez, M. L. Jimeno, J. Elguero, Heterocycles , 47 301-314 (1998) A Multinuclear NMR Study ( 1H, 13 C, 15 N) of 1-Monosubstituted Pyrazoles.

0868 C. Foces-Foces, R. E. Trifonov, V. A. Ostrovski, M. B. Shcherbinin. J. Elguero, Heterocycles , 48 1825-1832 (1998) The X-Ray Molecular Structure of ( Z)-(4,5-Diphenyl-1,2,3-Triazol-2-yl)-1,2-diphenyl-ethylene at 200 K.

0869 L. Infantes, C. Foces-Foces, P. Cabildo, R. M. Claramunt, O. Mó, M. Yáñez, J. Elguero, Heterocycles , 49 157-168 (1998) The Structure of Aminoazoles and its Relationship with Aromaticity. Crystal and Molecular Structure of Two Polymorphic Forms of 4-Aminopyrazole.

0870 F. Gómez-de la Torre, A. de la Hoz, F. A. Jalón, B. R. Manzano, A. Otero, A. M. Rodríguez, M. C. Rodríguez-Pérez, A. Echevarría, J. Elguero, Inorg. Chem ., 37 6606-6614 (1998) Synthesis and Characterization of Palladium(II) Complexes with New Polydentate Nitrogen Ligands. Dynamic 3 Behavior Involving Pd-N Bond Rupture. X-Ray Molecular Structure of [{Pd( η -C4H7)}2(Me-Bpzto)(4-Me- Bpzto)

0871 J.-L. M. Abboud, O. Castaño, J. Elguero, M. Herreros, N. Jagerovic, R. Notario, K. Sak, Int. J. Mass Spectr. Ion Proc ., 175 35-40 (1998) Superacid Chemistry in the Gas Phase: Dissociative Proton Attachment to Halomethanes.

0872 L. González, O. Mó, M. Yáñez, J. Elguero, J. Chem. Phys ., 109 2685-2693 (1998) Very Strong Hydrogen Bonds in Neutral Molecules: The Phosphinic Acid Dimers.

0873 I. Alkorta, J. Elguero, J. Chem. Soc., Perkin Trans. 2 , ---- 2497-2503 (1998) 1,2-Proton Shifts in Pyrazole and Related Systems: A Computational Study of [1,5]-Sigmatropic Migrations of Hydrogen and Related Phenomena.

0874 I. Alkorta, I. Rozas, J. Elguero J. Chem. Soc., Perkin Trans. 2 , ---- 2671-2675 (1998) A Computational Approach to Intermolecular Proton Transfer in the Solid State: Assistence by Proton Acceptor Molecules.

64 0875 I. Almena, E. Díez-Barra, A. de la Hoz, J. Ruiz, A. Sánchez-Migallón, J. Elguero J. Heterocycl. Chem ., 35 1263-1268 (1998) Alkylation and Arylation of Pyrazoles in Solvent-Free Conditions: Conventional Heating versus Microwave Irradiation

0876 C. Enjalbal, J.-L. Aubagnac, S. Trofimenko, R. Claramunt. D. Sanz, J. Elguero J. Heterocycl. Chem ., 35 1405-1420 (1998) Unusual Behaviour of Pyrazolo[1,2-a]Pyrazoles in Fast Atom Bombardment (FAB) and Frit-Fast Atom Bombardment (Frit-FAB) Mass Spectrometry. Influence of the Matrix.

0877 C. Foces-Foces, A. L. Llamas-Saiz, R. M. Claramunt, P. Cabildo, J. Elguero J. Mol. Struct ., 440 193-202 (1998) Studies of Intramolecular Hydrogen Bonds (IMHB): Crystal and Molecular Structure of 2-(2'- Hydroxyphenyl)imidazoles.

0878 L. Infantes, C. Foces-Foces, R. M. Claramunt, C. López, J. Elguero J. Mol. Struct ., 447 71-79 (1998) Tautomerism of NH-Pyrazolinones in the Solid State: The Case of 3(5)-Ethoxycarbonyl-5(3)- hydroxypyrazole.

0879 I. Alkorta, N. Campillo, I. Rozas, J. Elguero J. Org. Chem ., 63 7759-7763 (1998) Ring Strain and Hydrogen Bond Acidity.

0880 E. L. Moyano, G. I. Yranzo, J. Elguero J. Org. Chem ., 63 8188-8191 (1998) Flash Vacuum Pyrolysis of Pyrazoles as an Alternative Way to Study Vinylcarbenes.

0881 I. Alkorta, I. Rozas, J. Elguero J. Phys. Chem., A , 102A 9278-9285 (1998) Charge-Transfer Complexes Between Dihalogen Compounds and Electron Donors.

0882 I. Rozas, I. Alkorta, J. Elguero J. Phys. Chem., A , 102A 9925-9932 (1998) Bifurcated Hydrogen Bonds: Three-Centered Interactions.

0883 P. Cornago, R. M. Claramunt, M. D. Santa María, I. Alkorta, J. Elguero Mod. Chem ., 135 475-483 (1998) Aromatic Propellenes. Part 9. Synthesis and Conformational Study of Hexakis(benzimidazol -1'-yl)benzenes.

0884 A. L. Llamas-Saiz, C. Foces-Foces, C. Fontenas, J. Elguero Molecules Online , 2 76-81 (1998) Synthesis and X-Ray Crystal Structure of 3-(Pyrazol-4-yl) Propargyl Alcohol.

0885 J.-P. Galy, A.-M. Galy, A. Vichet, J. Elguero Monatsch. Chem ., 129 1199-1205 (1998) Reaction of 4-Hydroxyacridin-9(10 H)-one and 4-Hydroxyacridin-9(10 H)-thione with α,ω -Alkyl Dibromides.

0886 I. Alkorta, J. Elguero New J. Chem ., 22 381-385 (1998) Ab Initio Hybrid DFT-GIAO Calculations of the Shielding Produced by Carbon-Carbon Bonds and Aromatic Rings in 1H NMR Spectroscopy.

0887 M. L. Jimeno, I. Alkorta, J. Elguero, J. E. Anderson, R. M. Claramunt, J. L. Lavandera New J. Chem ., 22 1079-1083 (1998) Conformation of 5,6,11,12-Tetrahydrodibenzo[ a,e ]Cyclooctene: An Experimental and Theoretical NMR Study.

0888 C. Dardonville, J. Elguero, I. Rozas, C. Fernández-Castaño, C. Foces-Foces, J. Elguero New J. Chem ., 22 1421-1430 (1998) Tautomerism of 1-(2',4'-Dinitrophenyl)-3-methyl-2-pyrazolin-5-one: Theoretical Calculations, Solid and Solution NMR Studies and X-Ray Crystallography.

65 0889 I. Alkorta, J. Elguero Structural Chemistry , 9 59-63 (1998) Dissociation Energies and Rotational Barriers about CC Single, Double, and Triple Bonds: A Hybrid HF-DFT Approach (Becke3LYP-6-311++G**).

0890 I. Alkorta, J. Elguero Structural Chemistry , 9 187-202 (1998) Ab Initio (GIAO) Calculations of Absolute Nuclear Shieldings for Representative Compounds Containing 1(2) H, 6(7) Li, 11 B, 13 C, 14(15) N, 17 O, 19 F, 29 Si, 31 P, 33 S and 35 Cl Nuclei.

0891 I. Alkorta, I. Rozas, J. Elguero Structural Chemistry , 9 243-247 (1998) Bond Length-Electron Density Relationships: From Covalent Bonds to Hydrogen Bond Interactions.

0892 P. Molina, A. Arques, A. Tárraga, M. R. Obón, C. Foces-Foces, N. Jagerovic, J. Elguero Tetrahedron , 54 997-1004 (1998) Synthesis and X-Ray Crystallographic Study of 6,12.Epiiminodibenzo[ b,f ][1,5]Diazocines.

0893 R. M. Claramunt, J. L. Lavandera, D. Sanz, J. Elguero, M. L. Jimeno Tetrahedron , 54 9569-9580 (1998) Conformational Analysis of Heterocyclic Analogues of 5,6,11,12-Tetrahydrodibenzo[ a,e ] Cycloctene: 6,7,14,15-Tetrahydrobisbenzimidazo[1,2-a:,1',2' -e][1,5]Diazocine and Tetrahydrobispyridodiazocinediium Dibromide.

0894 A. C. Tomé, R. F. Enes, J. P. C. Tomé, J. Rocha, M. G. P. M. S. Neves, J. A. S, Cavaleiro, J. Elguero Tetrahedron , 54 11141-11150 (1998) New Pyrimidine and Pyrimidone Derivatives of [60] Fullerene.

0895 I. Alkorta, I. Rozas, J. Elguero Theor. Chem. Acc ., 99 116-123 (1998) Isocyanides as Hydrogen Bond Acceptors.

0896 I. Alkorta, I. Rozas, J. Elguero Theochem , 452 227-232 (1998) The Additive Properties of the Electron Density at the Bond Critical Points in Hydrogen-Bonded Complexes.

0897 M. Begtrup, T. Balle, R. M. Claramunt, D. Sanz, J. A. Jiménez, O. Mó, M. Yáñez, J. Elguero Theochem , 453 255-273 (1998) GIAO ab Initio Calculations of Nuclear Shieldings of Monosubstituted Benzenes and N-Substituted Pyrazoles.

Año 1999 (38 publicaciones)

0898 L. Infantes, C. Foces-Foces, J. Elguero Acta Crystallogr., Ser. B , 55 411-447 (1999) 3(5),4-dimethyl and 3,4,5-trimethypyrazole at 200 K. X-ray crystallography and quantum-chemical analysis.

0899 C. Foces-Foces, A. L. Llamas-Saiz, P. Cabildo, R. M. Claramunt, J. Elguero Acta Crystallogr., Ser. C , 55 1160-1163 (1999) The X-ray Molecular Structure of 1-(4'-hydroxyphenyl)-1,2,4-triazole.

0900 I. Alkorta, I. Rozas, J. Elguero Chem. Phys. Lett ., 311 281-291 (1999) How strong are the complexes between methane radical cation and noble gases?

0901 L. Infantes, C. Foces-Foces, R. M. Claramunt, C. López, N. Jagerovic, J. Elguero Heterocycles , 50 227-242 (1999) Packing Modes in Eight 3-Ethoxycarbonylpyrazole Derivatives. Influence of the Substituents on the Crystal Structure and Annular Tautomerism.

0902 R. M. Claramunt, I. Alkorta, J. Elguero Heterocycles , 51 355-360 (1999) Fluoropyrazoles: An ab initio Study.

66 0903 A. M. S. Silva, J. S. Vieira, J. A. S. Cavaleiro, T. Patonay, A. Lévai, J. Elguero Heterocycles , 51 481-487 (1999) New Syntheses of 4(5)-Aryl-5(4)-Chromonyl-1,2,3-triazoles from 2-Styrylchromones and Sodium Azide.

0904 R. M. Claramunt, I. Forfar, P. Cabildo, J. Lafuente, J. Barberá, R. Giménez, J. Elguero Heterocycles , 51 751-762 (1999) Synthesis and Mesogenic Properties of Schiff Bases Derived from Aminopyrazoles.

0905 J. Quiroga, B. Insuasty, A. Hormaza, P. Cabildo, R. M. Claramunt, J. Elguero Heterocycl. Commun ., 5 115-122 (1999) Synthesis, Molecular Structure and Tautomerism of 1(2) H- Dihydropyrazolo[3,4-b]Pyridin-6-Ones.

0906 C. Foces-Foces, A. L. Llamas-Saiz, J. Elguero Heterocycl. Commun ., 5 137-146 (1999) The Structure of N-Acetylazoles (Azolides): A Semiempirical (AM1) Computational Study.

0907 O. Hager, A. L. Llamas-Saiz. C. Foces-Foces, R. M. Claramunt, C. López, J. Elguero Helv. Chim. Acta , 82 2213-2230 (1999) Complexes Between 1,1'-Binaphthyl-2,2'-Dicarboxylic Acid and Pyrazoles: A Case of Manual Sorting of Conglomerate Crystals (Triage).

0908 O. Klein, M. Minguet-Bonvehí, F. Aguilar-Parrilla, N. Jagerovic, J. Elguero, H-H. Limbach Israel J. Chem. 39 291-299 (1999) Hydrogen Bond Compression during Triple Proton Transfer in Crystalline Pyrazoles. A Dynamic 15 N NMR Study.

0909 C. López, R. M. Claramunt, S. A. Bourne, J. Elguero J. Chem. Crystallogr. Cryst. Eng ., 2 197-213 (1999) 1D- and 2D-Networks Based on Bis- and Tris-(2-R-benzimidazol-1-yl) Methanes.

0910 G. I. Yranzo, E. L. Moyano, I. Rozas, C. Dardonville, J. Elguero J. Chem. Soc., Perkin Trans. 2 , ---- 211-216 (1999) An Experimental (FVP) and Theoretical Study of the Tautomerism of Pyrazolinones at High Temperatures.

0911 M. A. V. Ribeiro Da Silva, M. D. Ribeiro Da Silva, M. A. R. Matos, P. Jiménez, M. V. Roux, J. Elguero, R. Claramunt, P. Cabildo, A. Sánchez-Migallón J. Chem. Thermodyn ., 31 129-132 (1999) Enthalpies of Combustion, Heat Capacities, and Enthalpies of Vaporization of 1-Ethyl-imidazole and 1- Ethylpyrazole.

0912 L. Infantes, C. Foces-Foces, R. M. Claramunt, C. López, J. Elguero J. Heterocycl. Chem ., 36 595-599 (1999) Aminopyrazoles and Their Conjugated Acids. An X-Ray Study of 3,5-Dimethyl-4-amino-pyrazole and the Picrate of 3(5)-Aminopyrazole.

0913 E. Díez-Barra, A. de la Hoz, A. Sánchez-Migallón, J. Elguero J. Heterocycl. Chem ., 36 889-894 (1999) Quaternization and Dequaternization of Pyrazoles in Solvent-Free Conditions: Conventional Heating versus Microwave Irradiation

0914 C. Foces-Foces, C. Fernández-Castaño, R. M. Claramunt, C. Escolástico, J.Elguero J. Incl. Phenom. Macrocycl.Chem ., 33 169-189 (1999) Host:Guest Properties of the Aromatic Propellene 1,4-Bis(pyrazol-1-yl) -2,3,5,6-tetrakis(3,5-dimethylpyrazol- 1-yl)benzene.

0915 A. L. Llamas-Saiz, C. Foces-Foces, I. Sobrados, N. Jagerovic, J. Elguero J. Mol. Struct ., 478 81-91 (1999) A Structural Study of Pyrazole-1-Carboxamides by X-Ray Crystallography and 13 C CPMAS NMR Spectroscopy.

0916 M. D. Santa María, P. Cornago, R. M. Claramunt, J. Elguero, C. Fernández- Castaño, C. Foces-Foces J. Mol. Struct ., 478 285-294 (1999)

67 Aromatic Propellenes. Part 10. Conformational Study of Hexa(Imidazol- 1-yl)benzene by Means of NMR and AM1 Calculations.

0917 A. L. Llamas-Saiz, C- Foces-Foces, C. Fontenas, N. Jagerovic, J. Elguero J. Mol. Struct ., 484 197-205 (1999) The Search for Proton Mobility in Solid Pyrazoles: Molecular and Crystal Structure of 3(5)-Phenyl-4-bromo- 5(3)-methylpyrazole.

0918 I. Alkorta, J. Elguero J. Phys. Chem. A , 103 272-279 (1999) Theoretical Study of Strong Bonds Between Neutral Molecules: The Case of Amine Oxides and Phosphine Oxides as Hydrogen Bond Acceptors.

0919 I. Rozas, I. Alkorta, J. Elguero J. Phys . Chem. A , 103 8861-8869 (1999) Monohydride and monofluoride derivatives of B, Al, N and P. A theoretical study of their ability as hydrogen bond acceptors.

0920 O. Mó, M. Yáñez, M. V. Roux, P. Jiménez, J. Z. Dávalos, M. A. V. Ribeiro da Silva, M. D. M. C. Ribeiro da Silva, M. A,. Matos, L. M. P. F. Amaral, A. Sánchez- Migallón, P. Cabildo, R. M. Claramunt, J. Elguero, J. F. Liebman J. Phys .Chem. A, 103 9336-9344 (1999) Enthalpies of Formation of N-Substituted Pyrazoles and Imidazoles.

0921 D. Sanz, M. A. Ponce, R. M. Claramunt, C. Fernández-Castaño, C. Foces-Foces, J. Elguero J. Phys. Org. Chem ., 12 455-469 (1999) Synthesis and structural studies of symmetric and unsymmetric adamantylmethyleneazines.

0922 J.-L. M. Abboud, R. Notario, M. Yáñez, O. Mó, R. Flammang, N. Jagerovic, I. Alkorta, J. Elguero J. Phys. Org. Chem ., 12 787-795 (1999) 4-Nitropyrazole: a nitrogen or an oxygen base in the gas phase?

0923 R. Lazaro, P. Bouchet, R. Solé, J. Elguero Mod. Chem ., 136 489-495 (1999) Aromatic photosubstitution. I. Photocyanation of nitronaphthalenes.

0924 R. Lazaro, P. Bouchet, J. Elguero Mod. Chem ., 136 497-501 (1999) Aromatic photosubstitution. II. Photocyanation of 7-nitroindazoles.

0925 R. Lazaro, P. Bouchet, R. Solé, J. Elguero, M. Sergent, R. Phan Tan Luu Mod. Chem ., 136 525-530 (1999) Aromatic Photosubstitution. III. Application of the experimental design methodology to the study of the photocyanation of 1-nitronaphthalene.

0926 R. Lazaro, P. Bouchet, R. Solé, I. Alkorta, J. Elguero Mod. Chem ., 136 531-538 (1999) Aromatic Photosubstitution. IV. Photocyanation of aromatic compounds: Labelling experiments.

0927 G. Boyer, T. Lormier, J.-P. Galy, A. L. Llamas-Saiz, C. Foces-Foces, M. Fierros, J. Elguero, A. Virgili Molecules , 4 104-121 (1999) X-ray Crystallography at 170 K of Racemic 2,2'-Dimethoxy-9,9'-biacridine and 1H NMR Study of 2,2'- Diacetoxy-9,9'-biacridine.

0928 R. Goddard, R. M. Claramunt, C. Escolastico, J. Elguero New J. Chem ., 23 237-240 (1999) Structures of NH-Pyrazoles Bearing Only C-Methyl Substituents: 4-Methylpyrazole is a Hydrogen-Bonded Trimer in the Solid (100 K).

0929 I. Alkorta, J. Elguero New J. Chem ., 23 951-954 (1999) Can aromaticity be described with a single parameter? Benzene vs cyclohexatriene.

68 0930 I. Alkorta, J. Elguero, B. Donnadieu, M. Etienne, J. Jaffart, D. Schagen, H.-H. Limbach New J. Chem ., 23 1231-1237 (1999) The structure of 3,5-bis(trifluoromethyl)pyrazole in the gas phase and in the solid state.

0931 J. A. Jiménez, R. M. Claramunt, O. Mo, M. Yáñez, F. Wehrmann, G. Buntkowsky, H.-H. Limbach, R. Goddard, J. Elguero Phys. Chem. Chem. Phys ., 1 5113-5120 (1999) The structure of N-aminopyrazole in the solid state and in solution: an experimental and computational study.

0932 I. Alkorta, J. Elguero Struct. Chem ., 10 159-161 (1999) A general equation holds for the geometry of hydrogen bonds with O and N acceptors.

0933 P. Cabildo, D. Sanz, R. M. Claramunt, S. A. Bourne, I. Alkorta, J. Elguero Tetrahedron , 55 2327-2340 (1999) Synthesis and Structural Studies of Some [1 4]Paracyclo-Bis-(1,2) Pyrazolium and (1,3) Imidazolium Phanes.

0934 D-C. G. A. Pinto, A. M. S. Silva, J. A. S. Cavaleiro, C. Foces-Foces, A. L. Llamas-Saiz, N. Jagerovic, J. Elguero Tetrahedron , 55 10187-10200 (1999) Synthesis and Molecular Structure of 3-(2-Benzyloxy-6-hydroxyphenyl)-5-styrylpyrazoles. Reaction of 2- Styrylchromones and Hydrazine Hydrate.

0935 C. Foces-Foces, A. L. Llamas-Saiz, J. Elguero Z. Krist ., 214 237-241 (1999) Crystal Structures of two 4-Bromopyrazole Derivatives.

Año 2000 (25 publicaciones)

0936 J. M. Ugalde, I. Alkorta, J. Elguero Angew. Chem. Int. Ed. Engl ., 39 717-721 (2000) HIGHLIGHTS . Water Clusters: Towards an Understanding based on First-principles of Their Static and Dynamic Properties.

0937 C. Foces-Foces, I. Alkorta, J. Elguero Acta Crystallogr ., Ser. B B56 1018-1028 (2000) The Supramolecular Structure of 1 H-Pyrazoles in the Solid State: A Crystallographic and Ab Initio Study

0938 C. Foces-Foces, N. Jagerovic, J. Elguero Acta Crystallogr. , Ser. C C56 215-218 (2000) Weak C-H···O and C-H···N interactions in nitropyrazoles.

0939 C. Escolástico, M. A. Torres, M. D. Santa María, R. M. Claramunt, N. Jagerovic, J. Elguero, R. Sastre ARKIVOC , 1 612-626 (2000) Spectroscopic properties of two highly substituted PAH heteroanalogs: Octakis(pyrazol-1-yl)naphthalene and octakis(3,5-dimethylpyrazol-1-yl) naphthalene.

0940 C. Enjalbal, J.-L. Aubagnac, M. Pérez Torralba, D. Sanz, R. M. Claramunt, J. Elguero ARKIVOC , 1 843-853 (2000) FAB MASS Spectrometry of 6-Aminofulvene-2-aldimines: Non Classical Aromatic Compounds ?

0941 S. P. Singh, D. Kumar, H. Batra, R. Naithani, I. Rozas, J. Elguero Can. J. Chem ., 78 1109-1120 (2000) The Reaction between Hydrazines and β-Dicarbonyl Compounds: Proposal for a Mechanism.

0942 D. C. G. A. Pinto, A. M. S. Silva, A. Lévai, J. A. S. Cavaleiro, T. Patonay, J. Elguero Eur. J. Org. Chem ., ---- 2593-2599 (2000) Synthesis of 3-Benzoyl-4-styryl-2-pyrazolines and Their Oxidation to the Corresponding Pyrazoles.

0943 R. E. Trifonov, I. Alkorta, V. A. Ostrovskii, J. Elguero Heterocycles , 52 291-302 (2000) A Theoretical Study of the 1,2,3-Triazolo-Iminodiazomethane Isomerism in the Gas Phase.

69 0944 F. Gómez-de-la Torre, A. de la Hoz, F. A. Jalón, B. R. Manzano, A. M. Rodríguez, J. Elguero, M. Martínez- Ripoll Inorg. Chem ., 39 1152-1162 (2000) Pd(II) Complexes with Polydentate Nitrogen Ligands. Molecular Recognition and Dynamic Behavior 3 Involving Pd-N Bond Rupture. X-ray Molecular Structures of [[Pd(C 6FH 4)2] (bpzpm)] and [[Pd( η - C4H7))] 2(bpzpm)](CF 3SO 3)2 [bpzpm = 4,6-Bis(pyrazol-1-yl) pyrimidine].

0945 I. Rozas, I. Alkorta, J. Elguero J. Am. Chem. Soc ., 122 11154-11161 (2000) Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors.

0946 M. A. V. Ribeiro da Silva, M. D. M. C. Ribeiro da Silva, M. A. R. Matos, P. Jiménez, M. V. Roux, M. A. Martín-Luengo, J. Elguero, R. Claramunt, P. Cabildo J. Chem. Thermodyn. , 32 237-245 (2000) Enthalpies of Combustion, Heat Capacities, and Enthalpies of Vaporization of 1-Phenylimidazole and 1- Phenylpyrazole.

0947 R. M. Claramunt, C. López, M. A. García, M. Pierrot, M. Giorgi, J. Elguero J. Chem. Soc., Perkin Trans. 2 , ---- 2049-2053 (2000) 3(5)-(1-Adamantyl)pyrazoles: chemistry and molecular structure.

0948 I. Alkorta, I. Rozas, J. Elguero J. Fluor. Chem ., 101 233-238 (2000) Effect of fluorine substitution on hydrogen bond interactions.

0949 C. Foces-Foces, S. Trofimenko, C. López, M. D. Santa María, R. M. Claramunt, J. Elguero J. Mol. Struct ., 526 59-64 (2000) The structure at 150 K of a highly disordered pyrazole: 3-trifluoromethyl-5-(2-thienyl)-pyrazole.

0950 J. E. Del Bene, S. A. Perera, R. J. Bartlett, I. Alkorta, J. Elguero J. Phys. Chem. A , 104 7165-7166 (2000) 4hJ (31 P-31 P) Coupling Constants through N-H+···N Hydrogen Bonds: A Comparison of Computed ab Initio and Experimental Data .

0951 I. Alkorta, E. Gonzalez, N. Jagerovic, J. Elguero, R. Flammang J. Phys. Org. Chem ., 13 372-381 (2000) Basicity of 1-nitroaryl-4,5-dihydropyrazoles: p Ka measurements and theoretical calculations.

0952 C. Pardo, M. Yuste, J. Elguero J. Porphyrins. Phthalocyanins , 5 505-509 (2000) Tetraimidazophthalocyanines.

0953 S. H. Alarcón, J. A. Jiménez, R. M. Claramunt, H.-H. Limbach, J. Elguero Magn. Reson. Chem ., 38 305-310 (2000) Combined Variable Temperature and Variable Field 15 N CPMAS NMR Study of ( 15 N, 14 N) Residual Dipolar Coupling in Pyrazole Derivatives.

0954 M. A. García, C. López, O. Peters, R. M. Claramunt, O. Klein, D. Schagen, H.-H. Limbach, C. Foces-Foces, J. Elguero Magn. Reson. Chem ., 38 604-614 (2000) Triple proton transfer in crystalline 3,5-dibromo-1H-1,2,4-triazole and 3,5-dichloro- 1 H-1,2,4-triazole studied by variable-temperature 15 N and ab initio calculations. 0955 C. Pardo, S. Graf, M. Ramos, E. Sesmilo, J. Elguero Org. Prep. Proc. Int. , 32 385-390 (2000) Synthesis of 1-p-nitrobenzylazoles and 1-p-nitrobenzylbenzazoles.

0956 J. M. Orza, M. V. García, I. Alkorta, J. Elguero Spectrochim. Acta , 56 1469-1498 (2000) Vibrational spectra of 3,5-dimethylpyrazole and deuterated derivatives.

0957 C. López, R. M. Claramunt, I. Alkorta, J. Elguero 70 Spectroscopy, 14 121-126 (2000) Solution and solid state (CPMAS) NMR studies of the tautomerism of six-membered heterocyclic compounds related to 2-pyridones.

0958 C. López, R. M. Claramunt, I. Alkorta, J. Elguero Struct. Chem. , 11 73-83 (2000) Some considerations about the structure of 3(5)-methylpyrazole.

0959 I. Alkorta, J. Elguero Struct. Chem. , 11 335-340 (2000) Basicity and Proton Transfer in Proton Sponges and Related Compounds: An ab initio Study.

0960 I. Alkorta, L. Barrios, I. Rozas, J. Elguero THEOCHEM , 496 131-137 (2000) Comparison of models to correlate electron density at the bond critical point and bond distance.

Año 2001 (39 publicaciones)

0961 R. M. Claramunt, D. Sanz, J. Elguero Anal. Asoc. Quím. Argentina , 89 15-22 (2001) Reactivity of N-aminoazoles towards 1-bromoadamantane.

0962 R. M. Claramunt, D. Sanz, S. H. Alarcón, M. Pérez-Torralba, J. Elguero, C. Foces-Foces, M. Pietrzak, U. Langer, H.-H. Limbach Angew. Chem. Int. Ed. , 40 420-423 (2001) 6-Aminofulvene-1-aldimine: A Model Molecule for the Study of Intramolecular Hydrogen Bonds.

0963 R. M. Claramunt, C. Escolástico, J. Elguero ARKIVOC , 2 944-951 (2001) Addition of 3(5)-methylpyrazole to p-benzoquinone.

0964 R. M. Claramunt, C. Escolástico, J. Elguero ARKIVOC , 2 1012-1023 (2001) Methylation of (1-azolyl)-1,4-dihydroxybenzenes.

0965 R. Notario, O. Castaño, J. L. Andrés, J. Elguero, G. Maier, C. Hermann Chem. Eur. J ., 7 342-346 (2001) An Experimental and Theoretical Study of the Basicity of Tetra-tert -butyltetrahedrane.

0966 O. Mó, M. Yáñez, L. González, J. Elguero Chem. Phys. Chem. , ---- 465-467 (2001) Spontaneous Self-Ionization in the Gas-Phase: A Theoretical Prediction.

0967 E. Espinosa, I. Alkorta, I, Rozas, J. Elguero, E. Molins Chem. Phys. Lett. , 336 457-461 (2001) About the evaluation of the local kinetic, potential and total energy densities in closed-shell interactions.

0968 R. Flammang, M. Barbieux-Flammang, H. T. Le, P. Gerbaux, J. Elguero, M. T. Nguyen Chem. Phys. Lett. , 347 465-472 (2001) Collisional activation of protonated C-halogenopyrazoles.

0969 P. Prieto, A. de la Hoz, I. Alkorta, I. Rozas, J. Elguero Chem. Phys. Lett. , 350 325-330 (2001) Strained π-systems as hydrogen bond acceptors: the case of benzyne.

0970 G. I. Yranzo, J. Elguero, R. Flammang, C. Wentrup Eur. J. Org. Chem ., ---- 2209-2220 (2001) REVIEW: Formation of Cumulenes, Triple Bonded, and Related Compounds by Flash Vacuum Thermolysis of Five-Membered Heterocycles.

0971 J.-L. M. Abboud, C. Foces-Foces, R. Notario, R. E. Trifonov, A. P. Volovodenko, V. A. Ostrovskii, I. Alkorta, J. Elguero

71 Eur. J. Org. Chem ., ---- 3013-3024 (2001) Basicity of N-H and N-Methyl-1,2,3-triazoles in the Gas Phase, Solution and Solid State: An Experimental and Theoretical Study.

0972 V. Milata, R. M. Claramunt, P. Cabildo, M. D. Santa María, P. Cornago, L. Infantes, F. H. Cano, J. Elguero Heterocycles , 55 905-924 (2001) 2,4,6-Tris(azol-1-yl)-1,3,5-triazines: A new class of multidentate ligands.

0973 R. M. Claramunt, C. López, D. Sanz, J. Elguero Heterocycles , 55 2109-2121 (2001) A multinuclear NMR spectral study of parent azoles and benzazoles: Experimental results and GIAO ab initio calculations.

0974 M. Pietrzak, J. Wehling, H.-H. Limbach, N. S. Golubev, C. López, R. M. Claramunt, J. Elguero J. Am. Chem. Soc. , 123 4338-4339 (2001) 13 C Detected Scalar Nitrogen-Nitrogen Couplings Across the Intramolecular Symmetric NHN Hydrogen Bond of Proton Sponge.

0975 C. Foces-Foces, A. Echevarría, N. Jagerovic, I. Alkorta, J. Elguero, U. Langer, O. Klein, M. Minguet-Bonvehí, H.-H. Limbach J. Am. Chem. Soc. , 123 7896-7906 (2001) A Solid-State NMR, X-ray Diffraction and ab initio Computational Study of Hydrogen-Bond Structure and Dynamics of Pyrazole-4-Carboxylic Acid Chains.

0976 R. M. Claramunt, D. Sanz, I. Alkorta, J. Elguero, C. Foces-Foces, A. L. Llamas-Saiz J. Heterocycl. Chem. , 38 443-450 (2001) Ab initio Study of Azolides: Energetic and Spectroscopic Properties.

0977 A.-M. Patellis, J.-P- Galy, J. Kister, R. Chicheportiche, J. Elguero J. Heterocycl. Chem. , 38 1113-1118 (2001) Absorption and Fluorescence Properties of Acridinones, Thioacridinones, Aminoacridines and Related Crown Ethers.

0978 I. Alkorta, J. Elguero J. Heterocycl. Chem. , 38 1387-1391 (2001) A Density Functional Theoretical Study of the Influence of Cavities and Water Molecules on Tautomerism: the Case of Pyridones and 1,2,4-Triazoles Linked to Crown Ethers and Esters.

0979 L. E. Ochando, J. M. Amigó, J. Rius, D. Louër, Ch. Fontenas, J. Elguero J. Mol. Struct. , 562 11-17 (2001) The crystal structure of 3,5-diisopropyl-4-nitropyrazole from X-ray poweder diffraction data.

0980 A. M. S. Silva, I. Alkorta, J. Elguero, V. L. M. Silva J. Mol. Struct. , 595 1-6 (2001) A 13 C NMR study of the structure of four cinnamic acids and their methyl esters.

0981 M. C. Pardo, E. Sesmilo, E. Gutiérrez-Puebla, A. Monge, J. Elguero, A. Fruchier J. Org. Chem. , 66 1607-1611 (2001) New Chiral Molecular Tweezers with a Bis-Tröger's Base Skeleton.

0982 I. Alkorta, J. Elguero, A. Fruchier, D. J. Macquarrie, A. Virgili J. Organomet. Chem., 625 148-153 (2001) Aminopropylsilanes versus silatranes: an experimental and theoretical study.

0983 I. Alkorta, I. Rozas, J. Elguero J. Phys. Chem. A , 105 743-749 (2001) Molecular Complexes between Silicon Derivatives and Electron-Rich Groups.

0984 I. Alkorta, I. Rozas, O. Mó, M. Yáñez, J. Elguero J. Phys. Chem. A , 105 7481-7485 (2001) Hydrogen Bond vs . Proton Transfer between Neutral Molecules in the Gas Phase.

72 0985 A. de la Hoz, I. Almena, C. Foces-Foces, M. Yáñez, O, Mó, M. Alcamí, N. Jagerovic, J. Elguero J. Phys. Chem. B , 105 12759-12770 (2001) Synthesis, X-ray Structure, and Properties of 2-(1'-Pyridin-2'-one)Benzimidazole.

0986 I. Alkorta, I. Rozas, J. Elguero J. Phys. Chem. A , 105 10462-10467 (2001) Intramolecular Hydrogen Bonds in ortho -Substituted Hydroxybenzenes and in 8-Substituted 1- Hydroxynaphthalenes: Can a Methyl Group Be an Acceptor of Hydrogen Bonds?.

0987 M. Pietrzak, H.-H. Limbach, M. Pérez-Torralba, D. Sanz, R. M. Claramunt, J. Elguero Magn. Reson. Chem. , 39 S100-S108 (2001) Scalar coupling constants across the intramolecular NHN hydrogen bond of symmetrically and non- symmetrically substituted 6-aminofulvene-1-aldimines.

0988 M. Moreno-Mañas, R. M. Sebastián, A. Vallribera, J. F. Piniella, A. Alvarez-Larena, M. L. Jimeno, J. Elguero New J. Chem ., 25 329-335 (2001) Structure of chiral pyrazoles in the solid state and in solution.

0989 S. Trofimenko, A. L. Rheingold, L. M. Liable-Sands, R. M. Claramunt, C. López, M. D. Santa María, J. Elguero New J. Chem ., 25 819-823 (2001) The molecular structure of 4-tert -butylpyrazoles in the solid-state and in solution: an X-ray, NMR and calorimetric study of the buttressing effect of a 4-tert -butyl substituent.

0990 J. Elguero, A. Guerrero, F. Gómez de la Torre, A. de la Hoz, F. A. Jalón, B. R. Manzano, A. Rodríguez New J. Chem ., 25 1050-1060 (2001) New complexes with pyrazole-containg ligands and different metallic centres. Comparative study of their fluxional behaviour involving M-N rupture.

0991 R. M. Claramunt, C. López, M. A. García, M. D. Otero, M. R. Torres, E. Pinilla, S. H. Alarcón, I. Alkorta, J. Elguero New J. Chem ., 25 1061-1068 (2001) The structure of halogeno-1,2,4-triazoles in the solid state and in solution.

0992 R.M. Claramunt, C. López, A. Schmidpeter, A. Willhalm, J. Elguero, I. Alkorta Spectroscopy , 15 27-32 (2001) 13 C and 15 N NMR shieldings of 1,2,4-diazaphospholes in the solid state and in solution.

0993 I. Alkorta, I. Rozas, M. L. Jimeno, J. Elguero Struct. Chem ., 12 459-464 (2001) A Theoretical and Experimental Study of the Interaction of C 6F6 with Electron Donors.

0994 I. Alkorta, I. Rozas, J. Elguero THEOCHEM , 537 139-150 (2001) Transition metals as hydrogen bond acceptors: a theoretical study.

0995 P. Sánchez-Andrada, I. Alkorta, J. Elguero THEOCHEM , 544 5-23 (2001) A theoretical study of the addition reactions of HF, H 2O, H 2S, NH 3 and HCN to carbodiimide and related heterocumulenes.

0996 A. de la Hoz, A. Díaz-Ortiz, J. Elguero, L. J. Martínez, A. Moreno, A. Sánchez-Migallón Tetrahedron , 57 4397-4403 (2001) Solvent-free preparation of tris-pyrazolyl-1,3,5-triazines.

0997 I. Alkorta, I. Rozas, J. Elguero Tetrahedron , 57 6043-6049 (2001) An ab initio study of the NMR properties (absolute shieldings and NICS) of a series of significant aromatic and antiaromatic compounds.

0998 A. Esteves-Souza, A. Echevarría, I. Vencato, M. L. Jimeno, J. Elguero Tetrahedron , 57 6147-6153 (2001) 73 Unexpected Formation of Bis-Pyrazolyl Derivatives by Solid Support Coupled with Microwave Irradiation.

0999 C.Foces-Foces, N. Jagerovic, J. Elguero Z. Kristallogr. , 216 240-244 (2001) Crystal structure of 1,3,5-triphenyl-2-pyrazoline: a case of spontaneous resolution.

Año 2002 (32 publicaciones)

1000 T. Mas, R. M. Claramunt, M. D. Santa María, D. Sanz, S. H. Alarcón, M. Pérez-Torralba, J. Elguero ARKIVOC , v 48-61 (2002) Structure and spectroscopy of imidazo[1,2-a]imidazoles and imidazo[1,2-a]benzimidazoles.

1001 N. Jagerovic, C. Cano, J. Elguero, P. Goya, L. F. Callado, J. J. Meana, R. Girón, R. Abalo, D. Ruiz, A. Goicoechea, M. I. Martín, Biorg. Med. Chem., 10 817-827 (2002) Long-acting fentanyl analogues: synthesis and pharmacology of N-(1-phenyl pyrazolyl)-N-(1-phenylalkyl-4- piperidyl)propanamides.

1002 R. Flammang, J. Elguero, H. T. Le, P. Gerbaux, M. T. Nguyen Chem. Phys. Lett., 356 259-266 (2002) · Collisionally Induced Loss of NO 2 Radical from Protonated Nitroimidazoles and Nitropyrazoles.

1003 A. M. Guerrero, F. A. Jalón, B. R. Manzano, R. M. Claramunt, M. D. Santa María, C. Escolástico, J. Elguero, A. M. Rodríguez, M. A. Maestro, J. Mahía Eur. J. Inorg. Chem ., ---- 3178-3189 (2002) Variety in the coordination modes of the ligand hexakis(pyrazol-1-yl)benzene (Hpzb) to Pd II , Pt II and Cu I centres.

1004 D. C. G. A. Pinto, A. M. S. Silva, L. M. P. M. Almeida, J. A. S. Cavaleiro, J. Elguero Eur. J. Org. Chem ., ---- 3807-3815 (2002) 3-Aroyl-5-hydroxyflavones: Synthesis and transformation into aroylpyrazoles.

1005 M. A. García, C. López, R. M. Claramunt, A. Kenz, M. Pierrot, J. Elguero Helv. Chim. Acta , 85 2763-2776 (2002) Polymorphism vs . desmotropy: The cases of 3-phenyl- and 5-phenyl- 1 H-pyrazoles and 3-phenyl-1H- indazole.

1006 R. Faure. A. Frideling, J.-P. Galy, I. Alkorta, J. Elguero Heterocycles , 57 307-316 (2002) Synthesis, 1H and 13 C NMR study of pyrazoles derived from chiral cyclohexanones (3- methylcyclohexanone, menthone, pulegone, dihydrocarvone and carvone).

1007 S. F. Vasilevsky, E. V. Mshvidobadze, J. Elguero Heterocycles , 57 2255-2260 (2002) Heterocyclization of vic -substituted hydroxamic acid salts of acetylenylpyrazoles: A new procedure for the preparation of pyrazolo[3,4-c]pyridin-7-ones.

1008 C. Enjalbal, P. Sanchez, J. Martinez, J.-L. Aubagnac, D. Sanz, R. M. Claramunt, J. Elguero, Int. J. Mass Spectrom., 219 391-401 (2002) Utilization of charge and mass labeling for the structural identification of heterocyclic quaternary salts by mass spectrometry.

1009 I. Alkorta, I. Rozas, J. Elguero, Int. J. Quantum Chem., 86 122-129 (2002) Theoretical study of the Si-H group as potential hydrogen bond donor.

1010 I. Alkorta, J. Elguero, J. Am. Chem. Soc., 124 1488-1493 (2002) Self-Discrimination of Enantiomers in Hydrogen-Bonded Dimers.

1011 J. E. Del Bene, A. A. Perera, R. J. Bartlett, J. Elguero, I. Alkorta, C. López-Leonardo, M. Alajarín, D. Bautista, J. Am. Chem. Soc., 124 6393-6397 (2002) 74 3h J(15 N-31 P) Spin-Spin Coupling Constants across N-H···O-P Hydrogen Bonds.

1012 I. Alkorta, I. Rozas, J. Elguero, J. Am. Chem. Soc., 124 8593-8598 (2002) Interaction of Anions with Perfluoro Aromatic Compounds.

1013 E. Espinosa, I. Alkorta, J. Elguero, E. Molins, J. Chem. Phys ., 117 5529-5543 (2002) From weak to strong interactions: A comparative analysis of the topological and energetic properties of the electron density distribution involving X–F···F–Y systems.

1014 I. Alkorta, J. Elguero, J. Chem. Phys ., 117 6463-6468 (2002) Discrimination of hydrogen-bonded complexes with axial chirality.

1015 J. Elguero, A. Fruchier, M. L. Jimeno, P. Molina J. Chem. Res., ---- 34-36 (2002) An experimental study of the 4h J(31 P-31P) coupling constant and the 12 C/ 13 C isotope effect on 31 P in an iminophosphorane-substituted proton sponge.

1016 A. M. S. Silva, D. C. G. A. Pinto, J. A. S. Cavaleiro, A. Martínez, A. Castro, J. Elguero J. Chem. Res., 162-164 (2002) An experimental NMR and semi-empirical theoretical study of the conformation of styrylchromones and styryl alkyl or aryl ketones (benzylidene ketones).

1017 R. M. Claramunt, M. D. Santa-María, L. Infantes, F. H. Cano, J. Elguero, J. Chem. Soc., Perkin Trans. 2, ---- 564-568 (2002) The annular tautomerism of 4(5)-phenylimidazole.

1018 I. Alkorta, J. Elguero, S. Goswami, R. Mukherjee J. Chem. Soc., Perkin Trans. 2, ---- 894-898 (2002) Interaction of adenine with synthetic receptors: a theoretical study.

1019 S. E. Vasilevsky, E. M. Mshvidobadze, J. Elguero, J. Heterocycl. Chem., 39 1229-1233 (2003) Study of the heterocyclization of vic -substituted hydrazides of acetylenylpyrazole- carboxylic acids into N- amino pyrazolopyridinones.

1020 R. M. Claramunt, P. Cornago, D. Sanz, M. D. Santa María, C. Foces-Foces, I. Alkorta, J. Elguero J. Mol. Struct ., 605 199-212 (2002) 1-Benzoylazoles: An experimental (NMR and crystallography) and theoretical study.

1021 D. Sanz, M. Pérez-Torralba, S. H. Alarcón, R. M. Claramunt, C. Foces-Foces, J. Elguero J. Org. Chem ., 67 1462-1471 (2002) Tautomerism in the solid state and in solution of a series of 6-aminofulvene-1-aldimines.

1022 I. Alkorta, J. Elguero, J. Org. Chem., 67 1515-1519 (2002) Influence of Intermolecular Hydrogen Bonds on the Tautomerism of Pyridine Derivatives.

1023 I. Alkorta, J. Elguero, O. Mó, M. Yáñez, J. E. Del Bene, J. Phys. Chem. A, 106 9325-9330 (2002) Ab initio study of the structural, energetic, bonding, and IR spectroscopic properties of complexes with dihydrogen bond.

1024 J. E. Del Bene, S. A. Perera, R. J. Bartlett, I. Alkorta, J. Elguero, O. Mó, M. Yáñez, J. Phys. Chem. A, 106 9331-9337 (2002) 1d 3d One-bond ( JH-H) and three-bond ( JX-M) spin-spin coupling constants across X-H···H-M dihydrogen bonds .

1025 F. Salort, C. Pardo, J. Elguero, Magn. Reson. Chem., 40 743-746 (2002)

75 1 13 15 15 H, C, and N NMR analysis of Tröger's base and some of its [ N1] labelled precursors.

1026 J. Del Bene, R. J. Bartlett, J. Elguero, Magn. Reson. Chem., 40 767-771 (2002) Interpreting 2h J(F,N), 1h J(H,N) and 1J(F,H) in the hydrogen-bonded FH–collidine complex.

1027 A. de la Hoz, H. Blasco, A. Díaz-Ortiz, J. Elguero, C. Foces-Foces, A. Moreno, A. Sánchez- Migallón, G. Valiente, New J. Chem., 26 926-932 (2002) Solvent-free synthesis and structural characterization of azolyl-substituted pyrimidines ..

1028 M. Alcamí, O. Mó, M. Yáñez, I. Alkorta, J. Elguero, Phys. Chem. Chem. Phys., 4 2123-2129 (2002) Triaziridine and Tetrazetidine vs Cyclic Water Trimer and Tetramer: A Computational Approach to the Relationship between Molecular and Supramolecular Conformational Analysis.

1029 I. Alkorta, J. Elguero, Struct. Chem., 13 97-98 (2002) Molecular vs . Supramolecular Chemistry: The Rotational Barriers About Covalent Bonds and About Hydrogen Bonds.

1030 N. Jagerovic, M. L. Jimeno, I. Alkorta, J. Elguero, R. M. Claramunt, Tetrahedron, 58 9089-9094 (2002) An experimental (NMR) and theoretical (GIAO) study of the tautomerism of benzotriazole in solution.

1031 I. Alkorta, C. Wentrup, J. Elguero, THEOCHEM, 585 27-34 (2002) A Theoretical Study of the Origin of Rotational Barriers in Push-Pull Ethylenes.

Año 2003 (32 publicaciones)

1032 F. Carrée, C. Pardo, J.-P. Galy, G. Boyer, M. Robin, J. Elguero, ARKIVOC, i 1-8 (2003) Synthesis and spectroscopy of the Tröger’s base derived from 2-aminoacridine.

1033 R. M. Claramunt, C. López, J. Elguero, A. L. Rheingold, L. N. Zakharov, S. Trofimenko, ARKIVOC, x 209-219 (2003) Structure of 3(5)-[(4-diphenylphosphinoyl)phenyl]pyrazole in the solid state (X-ray and CPMAS NMR) and in solution (NMR): Tautomerism and hydrogen bonds.

1034 I. Alkorta, J. Elguero, ARKIVOC, xiv 31-36 (2003) Hydrogen bond acceptor properties of two radicals: nitric oxide molecule and hydrogen atom.

1035 M. L. Jimeno, I. Alkorta, C. Cano, N. Jagerovic, P. Goya, J. Elguero, C. Foces-Foces, Chem. Pharm. Bull., 51 929-934 (2003) Fentanyl and Its Analogue N-(1-Phenylpyrazol-3-yl)-N-[1-(2-phenylethyl)-4-piperidyl] propanamide: 1H- and 13 C-NMR Spectroscopy, X-Ray Crystallography, and Theoretical Calculations.

1036 I. Alkorta, J. Elguero, Chem. Phys. Lett., 381 505-511 (2003) Hydrogen bonding properties of krypton derivatives.

1037 J. E. del Bene, J. Elguero, Chem. Phys. Lett., 382 100-105 (2003) What determines the sign of the Fermi-contact contribution to the NMR spin–spin coupling constant?

1038 R. M. Claramunt, D. Sanz, M. Pérez Torralba, J. Elguero, P. Sanchez, C. Enjalbal, J. Martinez, J.-L. Aubagnac Eur. J. Mass Spectrom., 9 403-407 (2003) Electrospray mass spectrometry of 2-aminotropoinimines and 2-aminotropones.

76 1039 D. C. G. A. Pinto, A. M. S. Silva, J. A. S. Cavaleiro, J. Elguero, Eur. J. Org. Chem., ---- 747-755 (2003) New Bis(chalcones) and Their Transformation into Bis(pyrazoline) and Bis(pyrazole) Derivatives.

1040 A. Sánchez-Migallón, A. de la Hoz, C. López, R. M. Claramunt, L. Infantes, S. Motherwell, K. Shankland, H. Nowell, I. Alkorta, J. Elguero, Helv. Chim. Acta, 86 1026-1039 (2003) The Structure of N1-Hydroxylophine N3-Oxide (=1-Hydroxy-2,4,5-triphenyl-1H-imidazole 3-Oxide) in the Solid State.

1041 L. Infantes, M.F. Mahon, L. Male, P. R. Raithby, S. J. Teat, J. Sauer, N. Jagervic, J. Elguero, S. Motherwell, Helv. Chim. Acta, 86 1205-1221 (2003) 1,2,4,5-Tetrazines vs. Carboxylic Acid Dimers: Molecular Chemistry vs. Supramolecular Chemistry.

1042 S. F. Vasilevsky, S. V. Klyatskaya, E. V. Tretyakov, J. Elguero, Heterocycles, 86 1205-1221 (2003) Ethyl Vinyl Ether - An Agent for Protection of the Pyrazole NH-Fragment. A Convenient Method for the Preparation of N-Unsubstituted 4-Alkynylpyrazoles.

1043 M. C. Carrión, A. Guerrero, F. A. Jalón, B. R. Manzano, A de la Hoz, R. M. Claramunt, V.

Milata, J. Elguero Inorg. Chem., 42 885-895 (2003) Five different fluxional processes in polyfluorophenyl palladium(II) complexes with 2,4,6- tris(3,5-dimethyl pyrazol-1-yl)-1,3,5-triazine. The driving effect of the solvent.

1044 A. Caballero, A. Guerrero, F. A. Jalón, B. R. Manzano, R. M. Claramunt, M. D. Santa María, C. Escolástico, J.

Elguero Inorg. Chim. Acta, 347 168-174 (2003) Multinuclear NMR solution studies on complexes of hexakis(pyrazol-1-yl)benzene (hpzb) with Ag(I).

1045 I. Alkorta, J. Elguero, Int. J. Mol. Sci., 4 64-92 (2003) Review on DFT and ab initio Calculation of Scalar Coupling Constants.

1046 I. Alkorta, J. Elguero, E. Espinosa, I. Mata, E. Molins J. Comput. Chem., 24 416-421 (2003) Comparison of Electron Density Properties in Frozen and Relaxed Electronic Distributions.

1047 O. Picazo, I. Alkorta, J. Elguero, J. Org. Chem., 68 7485-7489 (2003) Large Chiral Recognition in Hydrogen-Bonded Complexes and Proton Transfer in Pyrrolo[2,3-b]pyrrole Dimers as Model Compounds.

1048 M. H. Holschbach, D. Sanz, R. M. Claramunt, L. Infantes, S. Motherwell, P. R. Raithby, M. L. Jimeno, D.

Herrero, I. Alkorta, N. Jagerovic, J. Elguero, J. Org. Chem., 68 8831-8837 (2003) The structure of a 4-Nitroso-5-aminopyrazole and Its Salts: Tautomerism, Protonation and E/Z Isomerism.

1049 O. Mó, M. Yáñez, J. Elguero, M. V. Roux, P. Jiménez, J. Z. Dávalos, M. A. V. Ribeiro de Silva, M. D. M. C. Ribeiro da Silva, P. Cabildo, R. Claramunt, J. Phys. Chem. A, 107 366-371 (2003) Substituent effects on Enthalpies of Formation: Benzene Derivatives .

1050 J. E. Del Bene, S. A. Perera, R. J. Bartlett, M. Yáñez, O. Mó, J. Elguero, I. Alkorta, J. Phys. Chem. A, 107 3121-3125 (2003) 19 15 2h Two-Bond F- N Spin-Spin Coupling Constants ( JF-N) across F-H···N Hydrogen Bonds.

1051 J. E. Del Bene, S. A. Perera, R. J. Bartlett, M. Yáñez, O. Mó, J. Elguero, I. Alkorta, J. Phys. Chem. A, 107 3126-3131 (2003) 15 19 2h + Two-Bond N- F Spin-Spin Coupling Constants ( JN-F) across N-H ···F Hydrogen Bonds.

77 1052 J. E. Del Bene, S. A. Perera, R. J. Bartlett, M. Yáñez, O. Mó, J. Elguero, I. Alkorta, J. Phys. Chem. A, 107 3222-3327 (2003) 13 15 2h Two-Bond C- N Spin-Spin Coupling Constants ( JC-N) Across C-H-N Hydrogen Bonds.

1053 I. Alkorta, J. Elguero, J. Phys. Chem. A, 107 9428-9433 (2003) Aromatic Systems as Charge Insulators: Their Simultaneous Interaction with Anions and Cations.

1054 M. Peters, I. Rozas, I. Alkorta, J. Elguero, J. Phys. Chem. B, 107 323-330 (2003) DNA triplexes: A study of their hydrogen bonds.

1055 I. Alkorta, J. Elguero, J. Phys. Chem. B, 107 5306-5310 (2003) Interaction of Protein Backbone with Nucleic Acid Bases.

1056 A. Guerrero, F. A. Jalón, B. R. Manzano, R. M. Claramunt, P. Cabildo, L. Infantes, F. H. Cano, J. Elguero Khim. Geterotsikl. Soedin. --- 1584-1591 (2003) The structure of tris(3',5'-dimethylpyrazol-1-yl)-s-triazine and its use as ligand in coordination chemistry.

1057 R. M. Claramunt, C. López, M. A. García, G. S. Denisov, I- Alkorta, J. Elguero New. J. Chem . 27 734-742 (2003) Protonation and phase effects on the NMR chemical shifts of imidazoles and pyrazoles: experimental results and GIAO calculations.

1058 I. Alkorta, J. Elguero Org. Biomol. Chem . 1 585-587 (2003) The influence of chain elongation on Karplus-type relationships: a DFT study of scalar coupling constants in polyacetylene derivatives.

1059 A. Díaz-Ortiz, J. Elguero, C. Foces-Foces, A. de la Hoz, A. Moreno, S. Moreno, A. Sánchez-Migallón, G. Valiente Org. Biomol. Chem . 1 4451-4457 (2003) Synthesis, structural determination and dynamic behavior of 2-chloro-4,6-bis(pyrazolyl- amino)-1,3,5-triazines.

1060 I. Alkorta, J. Elguero Struct. Chem . 14 377-389 (2003) GIAO Calculations of Chemical Shifts in Heterocyclic Compounds.

1061 C. López-Leonardo, M. Alajarín, P. Llamas-Lorente, D. Bautista, M. L. Jimeno, I. Alkorta, J. Elguero Struct. Chem . 14 391-397 (2003) The Molecular Structure and NMR Properties of P-Phosphinoylmethyl Aminophosphonium Salts.

1062 J.-P. Vors, V. Gerbaud, N. Gabas, J. P. Canselier, N. Jagerovic, M. L. Jimeno, J. Elguero Tetrahedron 59 555-560 (2003) The structure of the agrochemical fungicidal 4-chloro-3-(3,5-dichlorophenyl)-1H-pyrazole (RPA 406194) and related compounds.

1063 J. E. Del Bene, I. Alkorta, J. Elguero Z. Phys. Chem ., 217 1565-1575 (2003) 19 19 Computed EOM-CCSD F- F spin-spin coupling constants in small organic molecules.

Año 2004 (52 publicaciones)

1064 C. Dardonville, M. L. Jimeno, I. Alkorta, J. Elguero, ARKIVOC ii 206-212 (2004) The behavior of 5 H-dibenz[ b,f ]azepine dissolved in sulfuric acid.

1065 V. Vicente, A. Fruchier, J. Elguero, ARKIVOC iii 5-10 (2004)

78 The Effenberger’s synthesis of 3,3'-bipyrazole revisited.

1066 T. Mas, C. Pardo, J. Elguero ARKIVOC iv 86-93 (2004) A shorter synthesis of symmetrical 2,11-dimethyl-bis-Tröger's bases. A new molecular tweezer.

1067 D. Sanz, J. A. Jiménez, R. M. Claramunt, J. Elguero ARKIVOC iv 100-108 (2004) Multidentate ligands from N-hydroxy and N-aminopyrazole.

1068 I. Alkorta, N. Jagerovic, J. Elguero ARKIVOC iv 130-136 (2004) Theoretical study of cyameluric acid and related compounds.

1069 G. P. A. Yap, I. Alkorta, N. Jagerovic, J. Elguero Austr. J. Chem., 57 1103-1108 (2004) 2 The structure of two 1-(nitrophenyl)-∆ -pyrazolines: A crystallographic and theoretical study.

1070 R. M. Claramunt, F. Herranz, M. D. Santa María, C. Jaime, M. de Federico, J. Elguero Biosensors and Bioelectronics 20 1242-1249 (2004) Towards the Design of Host-Guest Complexes: Biotin and Urea Derivatives versus ArtificialReceptors.

1071 C. López, R. M. Claramunt, M. A. García, J. Elguero, Central Eur. J. Chem., 2 660-671 (2004) Pyrazoles as Molecular Probes to Study the Properties of Co-Crystals by Solid State NMR Spectroscopy.

1072 A. Guerrero, F. A. Jalón, B. R. Manzano, A. Rodríguez, R. M. Claramunt, P. Cornago, V. Milata, J. Elguero Eur. J. Inorg. Chem., ---- 549-556 (2004) Apparent Allyl Rotation in New Allylpalladium(II) Complexes with Pyrazolyl N-Donor Ligands.

1073 A. Frideling, R. Faure, J.-P. Galy, A. Kenz, I. Alkorta, J. Elguero Eur. J. Med. Chem., 39 37-48 (2004) Tetrahydroacridin-9-ones, 9-chlorotetrahydroacridines, 9-amino- tetrahydroacridines and 9- (pyrazol-1-yl)-tetrahydroacridinines derived from chiral cyclanones.

1074 T. Mas, C. Pardo, F. Salort, J. Elguero, Eur. J. Org. Chem., ---- 1097-1104 (2004) A New Entry to Bis-Tröger's Bases.

1075 V. L. M. Silva, A. M. S. Silva, D. C. G. A. Pinto, J. A. S. Cavaleiro, J. Elguero, Eur. J. Org. Chem., ---- 4348-4356 (2004) 3(5)-(2-Hydroxyphenyl)-5(3)-styrylpyrazoles: Synthesis and Diels-Alder Transformations.

1076 R. M. Claramunt, D. Sanz, M. Pérez-Torralba, E. Pinilla, M. R. Torres, J. Elguero Eur. J. Org. Chem., ---- 4452-4466 (2004) Solid-State Structure and Tautomerism of 2-Aminotroponimines Studied by X-ray Crystallography and Multinuclear NMR.

1077 A. Lévai, A. M. S. Silva, D. C. G. A. Pinto, J. A. S. Cavaleiro, I. Alkorta, J. Elguero, J. Jekö Eur. J. Org. Chem., ---- 4672-4679 (2004) Synthesis of Pyrazolyl-2-pyrazolines by Treatment of 3-(3-Aryl-3-oxopropenyl)-chromen- 4-ones with Hydrazine and Their Oxidation to Bis(pyrazoles).

1078 O. Klein, F. Aguilar-Parrilla, J. M. López, N. Jagerovic, J. Elguero, H.-H. Limbach J. Am. Chem. Soc ., 126 11718-11732 (2004) A Dynamic NMR Study of the Mechanisms of Double, Triple and Quadruple Proton and Deuteron Transfer in Cyclic Hydrogen Bonded Solids of Pyrazole Derivatives.

79 1079 J. E. Del Bene, J. Elguero J. Am. Chem. Soc ., 126 15624-15633 (2004) One-Bond Spin-Spin Coupling Constants of X-1H Proton Donors in Complexes with X-H-Y Hydrogen Bonds, 13 15 17 19 1 1 for X = C, N, O and F: Predictions, Comparisons, and Relationships Among JX-H, KX-H, and X-H Distances.

1080 J. E. Del Bene, J. Elguero, I. Alkorta, M. Yáñez, O. Mó J. Chem. Phys ., 120 3237-3243 (2004) 19 19 F- F spin-spin coupling constant surfaces for (HF) 2 clusters: The orientation and distance dependence of the sign and magnitude of JF-F.

1081 M. A. V.Ribeiro da Silva, Maria D. M. C.Ribeiro da Silva, L. M. P. F. Amaral, P. Jiménez, M. V. Roux, J. Z. Dávalos, M. Temprado, P. Cabildo, R. M. Claramunt, J. Elguero, O. Mó, M. Yáñez J. Chem. Thermodyn., 36 535-541 (2004) Experimental thermochemical study of two 2-alkylbenzimidazole isomers (alkyl = propyl and isopropyl).

1082 I. Alkorta, J. Elguero, N. Jagerovic, A. Fruchier, G. P. A. Yap J. Heterocycl. Chem., 41 285-289 (2004) Study of the Structure of 1-Hydroxymethylindazole and 1-Hydroxymethylbenzotriazole by X-ray crystallography, Multinuclear NMR in Solution and DFT Calculations.

1083 I. Alkorta, J. Elguero, A. Fruchier, N. Jagerovic, G. P. A. Yap, J. Mol. Struct., 689 251-254 (2004) 2 The structure of 1-formyl-3-phenyl-∆ -pyrazoline in the gas phase (DFT calculations), in solution (NMR) and in the solid state (X-ray crystallography).

1084 F. Langa, P. de la Cruz, J. L. Delgado, M. M. Haley, L. Shirtcliff, I. Alkorta, J. Elguero, J. Mol. Struct., 699 17-21 (2004) The structure of p-nitrophenylhydrazones of aldehydes: the case of the p-nitrophenylhydrazone of 2- diethylamino-5-methoxy-2H-indazole-3-carboxaldehyde.

1085 S. H. Alarcón, A. C. Olivieri, D. Sanz, R. M. Claramunt, J. Elguero, J. Mol. Struct., 705 1-9 (2004) Substituent and solvent effects on the proton transfer equilibrium in anils and azo derivatives of naphthol. Multinuclear NMR study and theoretical calculations.

1086 R. M. Claramunt, D. Sanz, M. D. Santa María, J. Elguero, S. Trofimenko J. Organomet. Chem., 689 463-470 (2004) 2h Predicted signs of reduced two-bond spin-spin coupling constants ( KX-Y) across X–H–Y hydrogen bonds.

1087 J. E. Del Bene, I. Alkorta, J. Elguero, J. Phys. Chem. A, 108 3662-3667 (2004) 1 13 15 31 Computed Spin-Spin Coupling Constants ( JX-Y) in Molecules H mX-YH n for X and Y = C, N, and P: 1 Comparisons with Experiment and Insights into the Signs of JX-Y.

1088 J. E. Del Bene, J. Elguero, J. Phys. Chem. A, 108 11762-11767 (2004) 1h Predicted signs of one-bond spin-spin coupling constants ( JH-Y) across X-H-Y hydrogen bonds for complexes with Y = 15 N, 17 O, and 19 F.

1089 I. Rozas, I. Alkorta, J. Elguero, J. Phys. Chem. B, 108 3335-3341 (2004) Modeling Protein-RNA Interactions: An Electron-Density Study of the Formamide and Formic Acid Complexes with RNA Bases.

1090 J. E. del Bene, J. Elguero, Magn. Reson. Chem., 42 421-423 (2004) 2h Predicted signs of reduced two-bond spin-spin coupling constants ( KX-Y) across X–H–Y hydrogen bonds.

1091 R. M. Claramunt, C. López, I. Alkorta, R. Yang, S. Schulman,

80 Magn. Reson. Chem., 42 712-714 (2004) The tautomerism of Omeprazole in solution: a 1H and 13 C NMR study.

1092 I. Alkorta, J. Elguero Magn. Reson. Chem., 42 955-961 (2004) A GIAO/DFT study of 1H, 13 C and 15 N shieldings in amines and its relevance in conformational analysis.

1093 T. Mas, C. Pardo, J. Elguero, Mendeleev Commun., ---- 235-237 (2004) Synthesis of new chiral molecular tweezers with a tris-Tröger’s base skeleton.

1094 P. Jiménez, M. V. Roux, J. Z. Dávalos, M. Temprado, M. A. V. Ribeiro da Silva, M. D. M. C. Ribeiro da Silva, L. M. P. F. Amaral, P. Cabildo, R. M. Claramunt, O. Mó, M. Yáñez, J. Elguero, Mol. Phys., 102 711-721 (2004) Substituent and ring effects on enthalpies of formation: 2-methyl- and 2-ethyl- benzimidazoles vs . benzene- and imidazole-derivatives.

1095 I. Alkorta, J. Elguero, O. Mó, M. Yáñez, J. E. Del Bene, Mol. Phys., 102 2563-2574 (2004) Do coupling constants and chemical shifts provide evidence for the existence of Resonance Assisted Hydrogen Bonds (RAHB)?

1096 A. M. S. Silva, J. S. Vieira, C. M. Brito, J. A. S. Cavaleiro, T. Patonay, A. Lévai, J. Elguero Monatsch. Chem., 135 293-308 (2004) Bromination and Azidation Reactions of 2-Styrylchromones. New Synthesis of 4(5)-Aryl-5(4)-(2-chromonyl)- 1,2,3-triazoles.

1097 C. Alvarez-Rua, S. García-Granda, S. Goswami, R. Mukherjee, S. Dey, R. M. Claramunt, M. D. Santa María, I. Rozas, N. Jagerovic, I. Alkorta, J. Elguero, New J. Chem ., 28 700-707 (2004) Multiple hydrogen bonds and tautomerism in naphthyridine derivatives.

1098 C. Díaz-Ortiz, J. Elguero, C. Foces-Foces, A. de la Hoz, A. Moreno, M. C. Mateo, A. Sánchez-Migallón, G. Valiente New J. Chem ., 28 952-958 (2004) Green synthesis and self-association of 2,4-diamino-1,3,5-triazine derivatives.

1099 C. Dardonville, M.-L. Jimeno, I. Alkorta, J. Elguero Org. Biomol. Chem ., 2 1587-1591 (2004) Homoheteroaromaticity: the case study of azepine and dibenzazepine.

1100 R. M. Claramunt, M. D. Santa María, J. Elguero, S. Trofimenko Polyhedron , 23 2985-2991 (2004) Isomer distribution in thallium hydrotris(polymethylenepyrazol-1-yl) borates (thallium scorpionates): a multinuclear NMR study.

1101 G. P. A. Yap, I. Alkorta, J. Elguero, N. Jagerovic Spectroscopy 18 605-611 (2004) The structure of 1,1,3-trimethyl- 2-pyrazolinium perchlorate: An X-ray crystallographic and GIAO/DFT multinuclear NMR study.

1102 I. Alkorta, J. Elguero Struct. Chem ., 15 117-120 (2004) Fluorine-fluorine interactions: NMR and AIM analysis.

1103 I. Alkorta, J. Elguero, E. Elguero Struct. Chem ., 15 599-604 (2004) Paradigms and Paradoxes: The Position of the Lone Pair in Amines: A Comparison Between Bader's AIM Approach and Pure Geometrical Considerations..

1104 I. Alkorta, J. Elguero, M. Eckert-Maksic, Z. B. Maksic

81 Tetrahedron 60 2259-2265 (2004) Influence of the H/F replacement on the homoaromaticity of homotropylium ion: a GIAO/DFT theoretical study.

1105 A. I. R. N. Barros, A. M. S. Silva, I. Alkorta, J. Elguero Tetrahedron , 60 6513-6521 (2004) Synthesis, experimental and theoretical NMR study of 2'-hydroxychalcones bearing a nitro substituent on their B ring.

1106 S. F. Vasilevsky, S. V. Klyaskaya, J. Elguero Tetrahedron , 60 6685-6688 (2004) One-pot synthesis of monosubstituted aryl(hetaryl)acetylenes by direct introduction of the C ≡CH residue into arenes and hetarenes.

1107 W. Holzer, C. Kautsch, C. Laggner, R. M. Claramunt, M. Pérez-Torralba, I. Alkorta, J. Elguero Tetrahedron , 60 6791-6805 (2004) 2 On the tautomerism of pyrazolones: the geminal J[pyrazole C-4,H-3(5)] spin coupling constant as a diagnostic tool.

1108 E. V. Mshvidobadze, S. F. Vasilevsky, J. Elguero, Tetrahedron , 60 11875-11878 (2004) A new route to pyrazolo[3,4-c] and [4,3-c]pyridinones via heterocyclization of vic-substituted hydroxamic acids of acetylenylpyrazoles.

1109 I. Alkorta, O. Picazo, J. Elguero Tetrahedron Asymm., 15 1391-1399 (2004) Chiral discrimination and isomerization processes in monomers, dimers and trimers of sulfoxides and thioperoxides.

1110 I. Alkorta, J. Elguero Tetrahedron Lett., 45 4127-4129 (2004) Classical versus redox tautomerism: substituent effects on the keto/enol and sulfoxide/sulfenic acid equilibria.

1111 S. F. Vasilevsky, S. V. Klyatskaya, O. L. Korovnikova, D. V. Stass, S. A. Amitina, I. A. Grigir’ev, J. Elguero Tetrahedron Lett., 45 7741-7743 (2004) First Acetylenic Derivatives of Stable 3-Imidazoline Nitroxides.

1112 I. Alkorta, J. Elguero Theor. Chem. Acc., 111 31-35 (2004) 3 4h Karplus-type relationships between scalar coupling constants: JHH molecular vs . JHH supramolecular coupling constants.

1113 R. E. Trifonov, I. Alkorta, V. A. Ostrovskii, J. Elguero THEOCHEM, 668 123-132 (2004) A theoretical study of the tautomerism and ionization of 5-substituted NH-tetrazoles.

1114 I. Alkorta, J. Elguero THEOCHEM, 680 191-198 (2004) Theoretical study of peptide model dimers. Homo versus heterochiral complexes.

1115 H.-H. Limbach, O. Klein, J. M. López del Amo, J. Elguero Z. Phys. Chem., 218 19-49 (2004) Multiple Kinetic Hydrogen/Deuterium Isotope effects in Quadruple Proton Transfer Reactions.

Año 2005 (43 publicaciones)

1116 R. M. Claramunt, M. Á. García, C. López, J. Elguero ARKIVOC, vii 91-101 (2005) The structure of 3,5-dimethylpyrazole/carboxylic acids co-crystals.

1117 G. P. A. Yap, F. A. Jové, R. M. Claramunt, D. Sanz, I. Alkorta, J. Elguero

82 Aust. J. Chem ., 58 817-822 (2005) The X-ray molecular structure of 1-(2',4'-dinitrophenyl)-1,2,3-triazole and the problem of the orthogonal interaction between a "pyridine-like" nitrogen and a nitro group

1118 E. Quintanilla, J. Z. Dávalos, J.-L. M. Abboud, M. Alcamí, M. P. Cabildo, R. M. Claramunt, J. Elguero, O. Mó, M. Yáñez Chem. Eur. J., 58 1826-1832 (2005) Why does pivalaldehyde (trimethylacetaldehyde) unexpectedly seem more basic than 1-adamantane- carbaldehyde in the gas-phase? FT-ICR and high-level ab initio studies.

1119 O. Mó, M. Yáñez, J. E. Del Bene, I. Alkorta, J. Elguero Chem. Phys. Chem., 6 1411-1418 (2005) Cooperativity and Proton Transfer in Hydrogen-Bonded Triads

1120 K. Zborowski, L. M. Proniewicz, I. Alkorta, J. Elguero Chem. Phys. Lett., 409 163-166 (2005) E•ect of HB complexation on the optical rotatory power of oxiranes.

1121 I. Alkorta, J. Elguero, O. Mó, M. Yáñez, J. E. Del Bene Chem. Phys. Lett., 411 411-415 (2005) Are resonance-assisted hydrogen bonds ‘resonance assisted’? A theoretical NMR study.

1122 I. Alkorta, J. Elguero, J. E. Del Bene Chem. Phys. Lett., 412 97-100 (2005) A theoretical investigation of N–H···O=P hydrogen bonds through 15 N-31 P and 1H-31 P coupling constants.

1123 T. Mas, C. Pardo, J. Elguero Helv. Chim. Acta, 88 1199-1207 (2005) Use of Tröger's Base as a Scaffold for New Chiral Molecular Tweezers: Synthesis of Trimeric, Fused Tröger's Bases [Dedicated to Professor Rolf Huisgen on the occasion of his 85th birthday].

1124 R. M. Claramunt, C. López, S. Lott, M. D. Santa María, I. Alkorta, J. Elguero Helv. Chim. Acta, 88 1931-1942 (2005) Solid-State NMR Study of the Tautomerism of Acetylacetone Included in a Host Matrix. Dedicated to Professor Rolf Huisgen on the occasion of his 85th birthday.

1125 I. Alkorta, J. Elguero Heteroatom Chem. 16 628-636 (2005) Barriers to the Intramolecular N- to N-Transfer of Different Groups in Pyrazoles: Prototropy vs . Elementotropy. Dedicated to Professor V. I. Minkin

1126 M. A. V. Ribeiro da Silva, M. D. M. C. Ribeiro da Silva, L. M. P. F. Amaral, J. Elguero, P. Jiménez, M. V. Roux, J. Z. Davalos, M. Temprado, P. Cabildo, R. M. Claramunt, O. Mó, M. Yáñez J. Chem. Thermodynamics, 37 1168-1176 (2005) Thermochemical properties of two benzimidazole derivatives: 2-Phenyl- and 2-benzyl-benzimidazole.

1127 J. Elguero, A. Fruchier J. Mar. Chem. Heterocycl., 4 1-25 (2005) Une vision simple de la tautomérie des hétérocycles aromatiques.

1128 M. A. Farrán, R. M. Claramunt, C. López, E. Pinilla, M. R. Torres, J. Elguero J. Mol. Struct., 741 67-75 (2005) Structural characterisation of 2,3-disubstituted pyrazines: NMR and X-ray crystallography.

1129 J. E. Del Bene, J. Elguero, I. Alkorta, O. Mó, M. Yáñez J. Phys. Chem. A, 109 2350-2355 (2005) An ab initio study of the influence of trimer formation on one- and two-bond spin-spin coupling constants 19 35 15 31 across an X-H-Y hydrogen bond: AH:XH:YH 3 Complexes for A, X, = F, Cl, and Y = N, P.

1130 I. Alkorta, O. Picazo, J. Elguero J. Phys. Chem. A, 109 3262-3266 (2005) Chiral Recognition in Cyclic α-Hydroxy Carbonyl Compounds: A Theoretical Study.

83 1131 O. Mó, M. Yáñez, M. Eckert-Maksic, Z. B. Maksic, I. Alkorta, J. Elguero J. Phys. Chem. A, 109 4359-4365 (2005) Periodic trends in bond dissociation energies. A theoretical study.

1132 B. Chan, J. E. Del Bene, J. Elguero, L. Radom J. Phys. Chem. A, 109 5509-5517 (2005) On the Relationship Between the Preferred Site of Hydrogen Bonding and Protonation.

1133 P. F. Provasi, G. A. Aucar, M. Sanchez, I. Alkorta, J. Elguero, S. P. A. Sauer J. Phys. Chem. A, 109 6555-6564 (2005) Interaction Energies and NMR Indirect Nuclear Spin-Spin Coupling Constants in Linear HCN and HNC Complexes.

1134 I. Alkorta, O. Picazo, J. Elguero, J. Phys. Chem. A, 109 9573-9577 (2005) Chiral Discrimination in Lithium Complexes of Bis(5H-pyrroles) and Bis(oxazolines).

1135 J. E. Del Bene, J. Elguero, J. Phys. Chem. A, 109 10753-10758 (2005) An ab initio study of complexes with two cations as N-H donors to F –: Structures and spin-spin coupling constants across N-H-F hydrogen bonds.

1136 J. E. Del Bene, J. Elguero, J. Phys. Chem. A, 109 10759-10769 (2005) Characterizing Hydrogen Bonding and Proton Transfer in 2:1 FH:NH 3 and FH:Collidine Complexes through One- and Two-Bond Spin-Spin Coupling Constants across Hydrogen Bonds.

1137 M. Sánchez, P. F. Provasi, G. A. Aucar, I. Alkorta, J. Elguero J. Phys. Chem. B, 109 18189-18194 (2005) Theoretical Study of HCN and HNC Neutral and Charged Clusters.

1138 X. Solans-Montfort, M. Sodupe, O. Mó, M. Yáñez, J. Elguero J. Phys. Chem. B, 109 19301-19308 (2005) Hydrogen Bond vs Proton Transfer in HZSM5 Zeolite. A Theoretical Study.

1139 Ó. Picazo, I. Alkorta, J. Elguero, O. Mó, M. Yáñez J. Phys. Org. Chem., 18 491-497 (2005) Chiral recognition in phosphinic acids dimers.

1140 I. Alkorta, J. Elguero, J. Phys. Org. Chem., 18 719-724 (2005) Theoretical estimation of the annular tautomerism of indazoles.

1141 R. M. Claramunt, M. Á. García, C. López, S. Trofimenko, G. P. A. Yap, I. Alkorta, J. Elguero Magn. Reson. Chem., 43 89-91 (2005) Spectral Assignments and Reference Data: The tautomerism of 1 H-pyrazole-3(5)-(N-tert -butyl)-carboxamide in the solid state and in solution.

1142 A. Fruchier, V. Vicente, I. Alkorta, J. Elguero Magn. Reson. Chem., 43 471-474 (2005) A theoretical study of 31 P-31 P coupling constants in cyclotriphosphazenes.

1143 J. Elguero, A. Fruchier. T. Mas, C. Pardo Magn. Reson. Chem., 43 665-669 (2005) 1H and 13 C NMR studies of asymmetrically substituted bis- and tris-Tröger's bases.

1144 R. M. Claramunt, M. D. Santa María, D. Sanz, I. Alkorta, J. Elguero Magn. Reson. Chem., 43 985-991 (2005) Spectral Assignments and Reference Data. A 1H, 13 C and 15 N NMR study in solution and in the solid state of six N-substituted pyrazoles and indazoles.

1145 D. Sanz, R. M. Claramunt, S. P. Singh, V. Kumar, R. Aggarwal, J. Elguero, I. Alkorta

84 Magn. Reson. Chem., 43 1040-1043 (2005) The structure of the products of condensation of hydroxylamine with trifluoromethyl-β-diketones: assignments of the diastereotopic protons of the 4-methylene group in 5-hydroxy-5-trifluoromethyl-∆2-isoxazolines.

1146 I. Alkorta, C. Cativiela, J. Elguero, A. M. Gil, A. I. Jiménez New J. Chem., 29 1450-1453 (2005) A theoretical study of the influence of nitrogen angular constraints on the properties of amides: rotation/inversion barriers and hydrogen bond accepting abilities of N-formyl-aziridine and -azirine

1147 I. Rozas, I. Alkorta, J. Elguero Org. Biomol. Chem., 3 366-371 (2005) Modelling protein-RMN interactions: an electron density study of the guanidinium and formate complexes with DNA bases.

1148 B. Abarca, I. Alkorta, R. Ballesteros, F. Blanco, M. Chadlaoui, J. Elguero, M. Mojarrad Org. Biomol. Chem., 3 3905-3910 (2005) 3-(2-Pyridyl)-[1,2,3]triazolo[1,5-a]pyridines. An experimental and theoretical (DFT) study of the ring–chain isomerization.

1149 A. Díaz-Ortiz, J. Elguero, A. de la Hoz, A. Jiménez, A. Moreno, S. Moreno, A. Sánchez-Migallón QSAR & Combinatorial Sci. 24 649-659 (2005) Microwave-Assisted Synthesis and Dynamic Behaviour of N2,N4,N6-Tris(1 H-pyrazolyl)-1,3,5-triazine-2,4,6- triamines.

1150 I. Alkorta, J. Elguero Struct. Chem., 16 77-79 (2005) Polyynes vs . Cumulenes: Their Possible Use as Molecular Wires. (Paradigms and Paradoxes).

1151 Ó. Picazo, I. Alkorta, J. Elguero Struct. Chem., 16 339-345 (2005) Dimers of 1,8a-dihydro-1,8-naphthyridine derivatives as models of chiral self-recognition.

1152 A. de la Hoz, A. Sánchez-Migallón, M. C. Mateo, P. Prieto, L. Infantes, J. Elguero Struct. Chem., 16 485-490 (2005) The Unusual Transformation of an Aromatic 1 H-Imidazole into a Non-Aromatic 2 H-Imidazole.

1153 I. Alkorta, J. Elguero Struct. Chem., 16 507-514 (2005) A Theoretical Study on the Tautomerism of C-Carboxylic and Methoxycarbonyl Substituted Azoles.

1154 D. Sanz, A. Perona, R. M. Claramunt, J. Elguero Tetrahedron, 61 145-154 (2005) Synthesis and spectroscopic properties of Schiff bases derived from 3-hydroxy-4-pyridinecarboxaldehyde.

1155 R. M. Claramunt, F. Herranz, M. D. Santa María, E. Pinilla, M. R. Torres, J. Elguero Tetrahedron, 61 5089-5100 (2005) Molecular recognition of biotin, barbital and tolbutamide with new synthetic receptors.

1156 O. Prakash, A. Kumar, A. Sadana, R. Prakash, S. P. Singh, R. M. Claramunt, D. Sanz, I. Alkorta, J. Elguero Tetrahedron, 61 6642-6651 (2005) Study of the reaction of chalcone analogs of dehydroacetic acid and o-aminothiophenol: synthesis and structure of 1,5-benzothiazepines and 1,4-benzothiazines.

1157 I. Alkorta, Ó. Picazo, J. Elguero Tetrahedron Asymm., 16 755-760 (2005) Effect of fluoro substituents and central atom nature on chiral derivatives of bisdiphenyl-borates and isoelectronic structures.

1158 S. F. Vasilevsky, E. V. Mshvidobadze, V. I. Mamatyuk, G. V. Romanenko, J. Elguero Tetrahedron Lett., 46 4457-4459 (2005)

85 Unexpected results in the heterocyclization of 5-acetylenylpyrazole-4-carboxylic acid hydrazides under the influence of CuCl: formation of a diazepinone and dehydrodimerization into the corresponding bis(pyrazolo[4,3-d][1,2] diazepinone).

Año 2006 (47 publicaciones)

1159 C. Foces-Foces, M. L. Rodríguez, J. Elguero, Acta Crystallogr. Sect. E, 62 o3351-o3353 (2006) Supramolecular assembly of diethyl 1H-pyrazole-3,5-dicarboxylate 0.33-hydrate.

1160 J. Elguero An. Quím., 102 18-24 (2006) "Science Citation Index": un estudio de caso.

1161 R. M. Claramunt, J. Elguero, An. Quím., 102 30-39 (2006) Una aproximación a la tautomería de los heterociclos aromáticos.

1162 I. Alkorta, J. Elguero, C. Foces-Foces, L. Infantes, ARKIVOC, ii 15-30 (2006) Classification of hydrogen-bond motives in crystals of NH-pyrazoles: a mixed empirical and theoretical approach. To Professor Félix H. Cano, our friend and teacher, in memoriam.

1163 E. Pinilla, M. R. Torres, R. M. Claramunt, D. Sanz, R. Prakash, S. P. Singh, I. Alkorta, J. Elguero, ARKIVOC, ii 136-142 (2006) The structure of 2,3-dihydro-3-(2,4-dioxo-6-methylpyran-3-ylidene)-2-(2-nitrobenzyl)-1,4-benzothiazine and the problem of orthogonal interactions.

1164 M. A. P. Martins, N. Zanatta, H. G. Bonacorso, F. A. Rosa, R. M. Claramunt, Mª Á. García, M. D. Santa María, J. Elguero, ARKIVOC, iv 29-11 (2006) The structure in the solid state and in solution of 3(5)-trifluoromethyl-4,5(3)-polymethylenepyrazoles. Dedicated to Armand Lattes.

1165 R. M. Claramunt, C. López, J. Elguero, ARKIVOC, v 5-11 (2006) The structure of Omeprazole in the solid state: a 13 C and 15 N NMR/CPMAS study. Issue in Honor of Prof. Edmunds Lukevics.

1166 R. M. Claramunt, D. Sanz, S. Aggarwal, A. Kumar, O. Prakash, S. P. Singh, J. Elguero, ARKIVOC, xiv 35-45 (2006) The reaction of o-phenylenediamine with α,β-unsaturated carbonyl compounds.

1167 I. Alkorta, J. Elguero, Chem. Phys. Lett., 417 367-370 (2006) An Atoms-in-Molecules analysis of the differences between meso and chiral forms of oxirane and cyclobutene derivatives.

1168 M. Solimannejad, L. M. Amlashi, I. Alkorta, J. Elguero, Chem. Phys. Lett., 422 226-229 (2006) XeH 2 as a proton-accepting molecule for dihydrogen bonded systems: A theoretical study.

1169 I. Alkorta, J. Elguero, Chem. Phys. Lett., 425 221-224 (2006) The carbon–carbon bond dissociation energy as a function of the chain length.

1170 I. Alkorta, K. Zborowski, J. Elguero Chem. Phys. Lett., 427 289-294 (2006) Self-aggregation as a source of chiral discrimination.

1171 J. E. Del Bene, I. Alkorta, J. Elguero Chem. Phys. Lett., 429 23-26 (2006)

86 The structure of protonated HCP: A classical or non-classical ion?

1172 I. Alkorta, J. Elguero Chem. Phys. Lett., 429 58-61 (2006) Theoretical study of the bond energy in n-silanes and n-germanes: Comparison with n-alkanes.

1173 I. Alkorta, O. Picazo, J. Elguero Curr. Org. Chem., 10 695-714 (2006) Theoretical Studies on Chiral Discrimination.

1174 A. Perona, D. Sanz, R. M. Claramunt, J. Elguero ECSOC-9 (Proceedings) ---- A014/1-A014/4 (2006) Synteses and structural studies of new molecules involving hydrogen bonds.

1175 A. Perona, D. Sanz, R. M. Claramunt, E. Pinilla, M. R. Torres, J. Elguero ECSOC-10 (Proceedings) ---- a032/a032 (2006) Protonation studies of Schiff bases using 13 C and 15 N-NMR spectroscopy.

1176 A. Levai, A. M. S. Silva, J. A. S. Cavaleiro, I. Alkorta, J. Elguero, J. Jeko Eur. J. Org. Chem., ---- 2825-2832 (2006) Synthesis of pyrazoles by treatment of 3-benzylchromones, 3-benzylflavones and their 4-thio analogues with hydrazine.

1177 D. Sanz, A. Perona, R. M. Claramunt, E. Pinilla, M. R. Torres, J. Elguero Helv. Chim. Acta 89 1290-1303 (2006) Solid-State and Solution Structural Studies of 4-{[C(E)]-1H-Azol-1-ylimino)methyl}pyridin-3-ols.

1178 O. Picazo, I. Alkorta, J. Elguero, M. R. Sundberg Inorg. Chem. Commun., 9 712-715 (2006) Chiral discrimination in binuclear square planar metal complexes of group 10.

1179 S. P. Singh, V. Kumar, R. Aggarwal, J. Elguero J. Heterocycl. Chem., 43 1003-1014 (2006) The reaction of aryl and heteroarylhydrazines with aryl-trifluoromethyl ß-diketones.

1180 R. M. Claramunt, P. Cornago, V. Torres, E. Pinilla, M. R. Torres, A. Samat, V. Lokshin, M. Valés, J. Elguero J. Org. Chem., 71 6881-6891 (2006) The Structure of Pyrazoles in the Solid State: A Combined CPMAS, NMR, and Crystallographic Study.

1181 J. E. Del Bene, J. Elguero J. Phys. Chem. A, 110 1128-1133 (2006) Ab initio Study of Hydrogen Bonding and Proton Transfer in 3:1 FH:NH 3 and FH:Collidine Complexes: Structures and One- and Two-Bond Coupling Constants across Hydrogen Bonds.

1182 I. Alkorta, O. Picazo, J. Elguero J. Phys. Chem. A, 110 2259-2268 (2006) Chiral Recognition of Self-complexes of Tetrahydro[4,5-d]imidazole Derivatives: From Dimers to Heptamers.

1183 L. Infantes, O. Mó, M. Yáñez, M. V. Roux, P. Jiménez, J. Z. Davalos, M. Temprado, M. A. V. Ribeiro da Silva, M. D. M. C. Ribeiro da Silva, L. M. P. F. Amaral, P. Cabildo, R. M. Claramunt, J. Elguero J. Phys. Chem. A, 110 2535-2544 (2006) Substituent Effects on Enthalpies of Formation of Nitrogen Heterocycles: 2-Substituted Benzimidazoles and Related Compounds.

1184 K. Zborowski, I. Alkorta, J. Elguero J. Phys. Chem. A, 110 7247-7252 (2006) Effect of Dimerization and Racemization Processes on the Electron Density and the Optical Rotatory Power of Hydrogen Peroxide Derivatives.

1185 J. E. Del Bene, J. Elguero J. Phys. Chem. A, 110 7496-7502 (2006) Systematic an initio Study of 15 N-15 N and 15 N-1H Spin-Spin Coupling Constants Across N-H+···N Hydrogen

87 Bonds. Predicting N-N and N-H Coupling Constants and Relating Them to Hydrogen Bond Type.

1186 J. E. Del Bene, J. Elguero, I. Alkorta, M. Yáñez, O. Mó J. Phys. Chem. A, 110 9959-9966 (2006) An ab Initio Study of 15 N-11 B Spin-Spin Coupling Constants for Borazine and Selected Derivatives.

1187 I. Alkorta, K. Zborowski, J. Elguero, M. Solimannejad J. Phys. Chem. A, 110 10279-10286 (2006) Theoretical Study of Dihydrogen Bonds between (XH)2, X ) Li, Na, BeH, and MgH, and Weak Hydrogen Bond Donors (HCN, HNC, and HCCH).

1188 J. E. Del Bene, J. Elguero J. Phys. Chem. A, 110 12543-12545 (2006) Karplus-Type Equations for 1J(X-Y) in Molecules HmX-YHn: (X, Y = N, O, P, S).

1189 I. Rozas, I. Alkorta, J. Elguero J. Phys. Chem. A, 110 13310-13316 (2006) Stereoisomer Discrimination in Complexes of Halogen-Substituted Difuranes and Li or Na Cations.

1190 R. M. Claramunt, M. D. Santa María, D. Sanz, I. Alkorta, J. Elguero Magn. Reson. Chem, 44 566-570 (2006) A 1H, 13 C and 15 N NMR study in solution and in the solid state of six N-substituted pyrazoles and indazoles.

1191 M.-L. Jimeno, I. Alkorta, J. Elguero, J. E. Del Bene Magn. Reson. Chem, 44 698-707 (2006) 13 15 + Computed coupling constants in X(CH 3)nH(4−n) moieties where X = C and N , and n = 0–4: comparisons with experimental data.

1192 J. E. Del Bene, J. Elguero Magn. Reson. Chem, 44 784-789 (2006) Substitution and protonation effects on spin–spin coupling constants in prototypical aromatic rings: C 6H6, C5H5N and C 5H5P.

1193 P. Navarro, F. Reviriego, I. Alkorta, J. Elguero, C. López, R. M. Claramunt, E. García-España Magn. Reson. Chem, 44 1067-1072 (2006) The structure of ammonium pyrazolates in the solid state.

1194 A. Perona, D. Sanz, R. M. Claramunt, J. Elguero Molecules, 11 453-463 (2006) Syntheses and Structural Studies of Schiff Bases Involving Hydrogen Bonds.

1195 I. Alkorta, J. Elguero Org. Biomol. Chem. 4 3096-3101 (2006) Theoretical models of directional proton molecular transport.

1196 I. Vidal, S. Melchor, I. Alkorta, J. Elguero, M. R. Sundberg, J. A. Dobado Organometallics. 25 5638-5674 (2006) On the Existence of α-Agostic Bonds: Bonding Analyses of Titanium Alkyl Complexes.

1197 R. M. Claramunt, P. Cornago, M. D. Santa María, V. Torres, E. Pinilla, M. R. Torres J. Elguero Supramol. Chem. 18 349-356 (2006) The Structure of a Non-Symmetric Disordered Tetramer: A Crystallographic and Solid State Multinuclear NMR Study of the Properties of 3(5)-Ethyl-5(3)-Phenyl-1H-Pyrazole.

1198 I. Alkorta, K. Zborowski, J. Elguero Struct. Chem. 17 13-17 (2006) Phosphole, pyrrole, and their tetrahydro derivatives: A theoretical study of their properties.

1199 I. Alkorta, J. Elguero, J. F. Liebman Struct. Chem. 17 439-444 (2006) The annular tautomerism of imidazoles and pyrazoles: The possible existence of nonaromatic forms.

88 1200 F. Fernández, O. Caamaño, M. D. García, I. Alkorta, J. Elguero Tetrahedron, 62 3362-3369 (2006) Regioselectivity in the formation of norbornene-fused pyrazoles: preparation of 1-substituted derivatives of 4,5,6,7-tetrahydro-1H-4,7-methanoindazole.

1201 S. F. Vasilevsky, S. V. Klyatskaya, O. L. Korovnikova, S. A. Amitina, D. V. Stass, I. A. Grigor’ev, J. Elguero Tetrahedron, 62 4597-4602 (2006) Stable nitroxyl radicals with triple bonds: 4-acetylenyl-3-imidazoline-3-oxide-1-oxyls.

1202 A. de la Hoz, A. Díaz-Ortíz, M. C. Mateo, M. Moral, A. Moreno, J. Elguero, C. Foces-Foces, M. L. Rodríguez, A. Sánchez-Migallón Tetrahedron, 62 5868-5874 (2006) Microwave assisted synthesis and crystal structures of 2-imidazolines and imidazoles.

1203 I. Alkorta, J. Elguero Tetrahedron, 62 8683-8686 (2006) The calculated enthalpies of the nine pyrazole anions, cations, and radicals: a comparison with experiment.

1204 R. M. Claramunt, C. López, C. Pérez-Medina, E. Pinilla, M. R. Torres, J. Elguero Tetrahedron, 62 11704-11713 (2006) Synthesis and structural study of tetrahydroindazolones.

1205 C. Pardo, I. Alkorta, J. Elguero Tetrahedron Asymm., 17 191-198 (2006) A DFT study of the geometric, magnetic NMR chemical shifts and optical rotation properties of Tröger’s bases.

1206 F. J. Zúñiga, L. Palatinus, P. Cabildo, R. M. Claramunt, J. Elguero Z. Kristallogr., 221 281-287 (2006) The molecular structure of 2-phenylbenzimidazole: a new example of incommensurate modulated intramolecular torsion.

Año 2007 (48 publicaciones)

1207 S. Trofimenko, R. M. Claramunt, M. D. Santa María, J. Elguero AFINIDAD, 64 265-277 (2007) A Multinuclear Magnetic Resonance Study in Solution and in the Solid State of Molybdenum Dihydrobis- pyrazolylborates Complexes [To our friend, Dr. Joan-Juli Bonet Sugrañes, in memoriam].

1208 M. A. Farrán, R. M. Claramunt, C. López, E. Pinilla, M. R. Torres, J. Elguero ARKIVOC, iv 20-38 (2007) Structural Characterization of alloxazine and substituted isoalloxazines: NMR and X-ray crystallography Issue in Honor of Prof. Joan Bosch.

1209 M. Pérez-Torralba, R. M. Claramunt, I. Alkorta, J. Elguero ARKIVOC, xii 55-66 (2007) Double addition of azoles to glyoxal: characterization of the bisadducts and theoretical study of their structure. Dedicated to Madeleine Joullie.

1210 A. Lévai, A. M. S. Silva, J. A. S. Cavaleiro, J. Elguero, I. Alkorta, J. Jekö Aust. J. Chem., 60 905-914 (2007) Synthesis of 4-Aryl-3(5)-(2-hydroxyphenyl)pyrazoles by Reaction of Isoflavones and their 4-Thio Analogues with Hydrazine Derivatives.

1211 P. Sanz, O. Mó, M. Yáñez, J. Elguero Chem. Phys. Chem., 8 1950-1958 (2007) Non-Resonance-Assisted Hydrogen Bonding in Hydroxymethylene and Aminomethylene Cyclobutanones and Cyclobutenones and Their Nitrogen Counterparts.

1212 M. Solimannejad, I. Alkorta, J. Elguero Chem. Phys. Lett., 449 23-27 (2007) Stabilities and properties of O 3–HOCl complexes: A computational study.

89 1213 C. López, R. M. Claramunt, M. A. García, E. Pinilla, M. R. Torres, I. Alkorta, J. Elguero Cryst. Growth & Design, 7 1176-1184 (2007) Cocrystals of 3,5-Dimethyl-1H-pyrazole and Salicylic Acid: Controlled Formation of Trimers via O-H···N Hydrogen Bonds.

1214 M. D. Santa María, R. M. Claramunt, I. Alkorta, J. Elguero Dalton Trans., ---- 3995-3999 (2007) A theoretical and experimental study of the fluxional beaviour of molybdenum dihydrobis- and hydrotris- pyrazolylborates.

1215 O. Picazo, I. Alkorta, J. Elguero, M. R. Sundberg, J. Valo Eur. J. Inorg. Chem. ---- 324-332 (2007) Bonding Properties Related with Chiral Discrimination in Dinuclear Metal Complexes of Group 10.

1216 J. E. Del Bene, J. Elguero, I. Alkorta, M. Yáñez, O. Mó J. Chem. Theory Comput., 3 549-556 (2007) Spin-Spin Coupling Constants for Iminoboranes RBNH, HBNR, and RBNR and Comparisons with Corresponding Isoelectronic Acetylenes RCCH and RCCRm for R = H, CH 3, NH 2, OH, and F.

1217 C. Pardo, C. Pirat, J. Elguero J. Heterocycl. Chem., 44 1303-1308 (2007) The Synthesis of a Linear Tröger's Base Derived from Naphthalene: 7 H-15 H-6,14-methanodinaphtho[2,3- b:2',3'-f][1,5]diazocine.

1218 M.-L. Jimeno, I. Alkorta, J. Elguero J. Mol. Struct., 837 147-152 (2007) 31 An experimental and DFT analysis of coupling constants in [ P(CH 3)H (4-n) ]+ systems where n = 0–4 with a 14 + 31 + note on [ N(C 2H5)4] and [ P(C 2H5)4] .

1219 S. Goswami, S. Dey, J. F. Gallagher, A. J. Lough, S. García-Granda, L. Torre-Fernández, I. Alkorta, J. Elguero J. Mol. Struct., 846 97-107 (2007) Tailor-made naphthyridines: Self-assembling multiple hydrogen-bonded supramolecular architectures from dimer to helix.

1220 J. E. Del Bene, J. Elguero, I. Alkorta, M. Yáñez, O. Mó J. Phys. Chem. A, 111 419-421 (2007) Attacking Boron Nucleophiles: NMR Properties of Five-Membered Diazaborole Rings.

1221 I. Alkorta, J. Elguero, K. Zborowski J. Phys. Chem. A, 111 1096-1103 (2007) Chiral Recognition in Diaziridine Clusters and the Problem of Racemization Waves.

1222 M. Solimannejad, I. Alkorta, J. Elguero, J. Phys. Chem. A, 111 2077-2083 (2007) Weakly Bound Complexes of N 2O: An ab Initio Theoretical Analysis Toward the Design of N 2O Receptors.

1223 J. E. Del Bene, J. Elguero, J. Phys. Chem. A, 111 2517-2526 (2007) Variation of One-bond X-Y Coupling Constants 1J(X-Y) and the Components of 1J(X-Y) with Rotation about the X-Y Bond for Molecules HmX-YHn, with X, Y = 15 N, 17 O, 31 P, 33 S: The Importance of Nonbonding Pairs of Electrons.

1224 I. Alkorta, D. Quiñonero, C. Garau, A. Frontera, J. Elguero, P. M. Deyà, J. Phys. Chem. A, 111 3137-3142 (2007) 6 6 Dual Cation and Anion Acceptor Molecules. The Case of the ( η -C6H6)( η C6F6)Cr(0) Complex.

1225 J. E. Del Bene, J. Elguero, I. Alkorta, J. Phys. Chem. A, 111 3416-3422 (2007) Probing P-H+-P Hydrogen Bonds: Structures, Binding Energies, and Spin-Spin Coupling Constants.

1226 P. Sanz, O. Mó, M. Yáñez, J. Elguero, J. Phys. Chem. A, 111 3585-3591 (2007)

90 Resonance-Assisted Hydrogen Bonds: A Critical Examination. Structure and Stability of the Enols of β- Diketones and β-Enaminones.

1227 P. Sanz, O. Mó, M. Yáñez, J. Elguero, J. Phys. Chem. A, 111 6443-6448 (2007) Can Changes in One-bond Spin-spin Coupling Constants in Acids Be Related to Gas-Phase Proton Affinities of Bases?

1228 I. Alkorta, M. Solimannejad, P. Provasi, J. Elguero, J. Phys. Chem. A, 111 7154-7161 (2007) + Theoretical Study of Complexes and Fluoride Cation Transfer between N 2F and Electron Donors.

1229 I. Alkorta, J. Elguero, J. E. Del Bene, J. Phys. Chem. A, 111 9924-9930 (2007) HC≡P and H 3C-C≡P as Proton Acceptors in Protonated Complexes Containing Two Phosphorus Bases: Structures, Binding Energies, and Spin-Spin Coupling Constants.

1230 A. Perona, D. Sanz, R. M. Claramunt, E. Pinilla, M. R. Torres, J. Elguero, J. Phys. Org. Chem., 20 610-623 (2007) Acid assisted proton transfer in 4-[(4-R-phenylimino)methyl]pyridin-3-ols: NMR spectroscopy in solution and solid state, X-ray and UV studies and DFT calculations.

1231 J. E. Del Bene, J. Elguero, Magn. Reson. Chem., 45 484-487 (2007) Solvent effects on one-bond B-Li coupling constants in boryllithium compounds.

1232 D. Sanz, R. M. Claramunt, A. Saini, V. Kumar, R. Aggarwal, S. P. Singh, I. Alkorta, J. Elguero, Magn. Reson. Chem., 45 513-517 (2007) Pyrazolo[1,5-a]pyrimidines. A combined multinuclear magnetic resonance ( 1H, 13 C, 15 N, 19 F) and DFT approach to their structural assignment.

1233 J. E. Del Bene, J. Elguero, Magn. Reson. Chem., 45 714-719 (2007) Probing the proton-transfer coordinate of complexes with F–H···P hydrogen bonds using one- and two-bond spin–spin coupling constants.

1234 F. Blanco, I. Alkorta, J. Elguero, Magn. Reson. Chem., 45 797-800 (2007) Spectral Assignments and Reference Data: Statistical analysis of 13 C and 15 N NMR chemical shifts from GIAO/B3LYP/6-311++G

calculated absolute shieldings.

1235 R. M. Claramunt, D. Santa María, E. Pinilla, M. R. Torres, J. Elguero, Molecules, 12 2201-2214 (2007) Structural Studies of Two Tinuvin ® P Analogs: 2-(2,4-Dimethyl-phenyl)-2H-benzotriazole and 2-Phenyl-2H- benzotriazole.

1236 V. L. M. Silva, A. M. S. Silva, D. C. G. A. Pinto, N. Jagerovic, L. F. Callado, J. A. S. Cavaleiro, J. Elguero, Montasch. Chem., 138 797-811 (2007) Synthesis and Pharmacological Evaluation of Chlorinated N-Alkyl-3- and -5-(2-hydroxyphenyl)pyrazoles as CB1 Cannabinoid Ligands.

1237 I. Alkorta, P. Goya, J. Elguero, S. P. Singh, Natl. Acad. Sci. Lett., 30 139-159 (2007) A simple approach to the tautomerism of aromatic heterocycles. Review

1238 J. Teichert, P. Oulié, K. Jacob, L. Vendier, M. Etienne, R. M. Claramunt, C. López, C. Pérez Medina, I. Alkorta, J. Elguero, New J. Chem., 31 936-946 (2007) The structure of FLuorinated indazoles: the effect of the replacement of a H by a F atom on the supramolecular structure of NH-indazoles.

1239 O. Mó, M. Yáñez, A. Martín Pendás, J. E. Del Bene, I. Alkorta, J. Elguero,

91 Phys. Chem. Chem. Phys., 9 3970-3977 (2007) Unusual substituent effects on the bonding of iminoboranes.

1240 K. Zborowski, I. Alkorta, J. Elguero, Pol. J. Chem., 81 621-629 (2007) A Theoretical Study of Chiral Recognition in Bis[amino(phenyl)methanol]chromium(0) Complexes.

1241 B. R. Manzano, F. A. Jalón, G. Espino, A. Guerrero, R. M. Claramunt, C. Escolástico, J. Elguero, M. A, Heras, Polyhedron, 26 4373-4382 (2007) Synthesis, spectral characterization and cytotoxicity of Ru–bipyridyl complexes containing hexakis(pyrazol-1- yl)benzene (hpzb) as a co-ligand.

1242 I. Alkorta, F. Blanco, J. Elguero, Russ. Chem. J., ---- 99-106 (2007) Acid properties of Porphyrins and Related Systems.

1243 D. Sanz, R. M. Claramunt, I. Alkorta, J. Elguero, Struct. Chem., 138 703-708 (2007) The use of chemical shifts vs. coupling constants for studying tautomerism: a combined experimental and theoretical approach.

1244 K. Zborowski, I. Alkorta, J. Elguero, Struct. Chem., 138 797-805 (2007) Substitution effects in phenyl and N-pyrrole derivatives along the periodic table.

1245 F. Blanco, I. Alkorta, K. Zborowski, J. Elguero, Struct. Chem., 138 965-975 (2007) Substitution effects in N-pyrazole and N-imidazole derivatives along the periodic table.

1246 A. de la Hoz, A. Díaz, J. Elguero, A. Jiménez, A. Moreno, A. Ruiz, A. Sánchez-Migallón Tetrahedron, 63 748-753 (2007) Microwave-assisted Synthesis of Bipyrazolyls and Pyrazolyl-substituted Pyrimidines.

1247 M. D. Santa María, R. M. Claramunt, M. A. García, J. Elguero, Tetrahedron, 63 3737-3744 (2007) Synthesis, structure, and isomerism of N-2,4-dinitrophenylbenzotriazoles.

1248 S. Trofimenko, G. P. A. Yap, F. A. Jove, R. M. Claramunt, M. A. García, M. D. Santa María, I. Alkorta, J. Elguero, Tetrahedron, 63 8104-8111 (2007) Structure and tautomerism of 4-bromo substituted 1 H-pyrazoles.

1249 L. Wan, I. Alkorta, J. Elguero, J. Sun, W. Zheng, Tetrahedron, 63 9129-9133 (2007) The structural and theoretical study of 1 H-3,5-di-phenyl-1,2,4-diazaphosphole in the solid state.

1250 V. L. M. Silva, A. M. S. Silva, D. C. G. A. Pinto, J. A. S. Cavaleiro, J. Elguero, Tetrahedron Lett., 48 3859-3862 (2007) Novel ( E)- and ( Z)-3(5)-(2-hydroxyphenyl)-4-styrylpyrazole from ( E)- and ( Z)-3-styrylchromones: the unexpected case of ( E)-3(5)-(2-hydroxyphenyl)-4-(4-nitrostyryl)pyrazoles.

1251 K. Zborowski, I. Alkorta, J. Elguero, J. Mol. Struct. THEOCHEM, 811 37-44 (2007) Enantiodifferentiation in protonation processes: A theoretical study.

1252 M. Solimannejad, I. Alkorta, J. Elguero, J. Mol. Struct. THEOCHEM, 819 136-141 (2007) – – A comparative ab initio study of SF 6···X and CF 4···X complexes (X = H, F, Cl, CN, NC, N 3 and NCO).

1253 F. Blanco, I. Alkorta, J. Elguero, J. Mol. Struct. THEOCHEM, 847 25-51 (2007) Computational studies of the structure of aldazines and ketazines: Part 2. Halogen and a ,b-unsaturated

92 derivatives.

1254 I. Alkorta, I. Rozas, J. Elguero, Theor. Chem. Acc., 118 533-539 (2007) Theoretical study of neutral and protonated triple bonded molecules formed between C, N, Si, P, B and Al.

Año 2008 (54 publicaciones)

1255 C. López, R. M. Claramunt, J. Elguero, ARKIVOC, iv 33-46 (2008) Oxalic acid/phenols and oxalic acid/cholesterol co-crystals: a solid state 13 C CPMAS NMR study. Dedicated to Professor Irina Beletskaya .

1256 I. Alkorta, F. Blanco, J. Elguero, ARKIVOC, vii 48-56 (2008) Computational studies of the structure of aldazines and ketazines. Part 1. Simple compounds. Dedicated to Prof. Guy Queguiner.

1257 C. Fernández-Fernández, N. Jagerovic, I. Alkorta, C. M. Maya, L. Infantes, J. Elguero, ARKIVOC, viii 74-84 (2008) The molecular structure of 1,3-dimethyl-4-phenyl-1H-pyrazole-5-carboxylic acid. Dedicated to Prof. Arlette Solladié-Cavallo.

1258 M. Alvarado, P. Goya, M. Macías-González, F. Javier Pavón, A. Serrano, N. Jagerovic, J. Elguero, A.Gutiérrez-Rodríguez, S. García-Granda, M. Suardíaz, F. Rodríguez de Fonseca, Bioorg. Med. Chem., 16 10098-10105 (2008) Antiobesity designed multiple ligands: Synthesis of pyrazole fatty acid amides and evaluation as hypophagic agents.

1259 M. S. Rodríguez-Morgade, C. G. Claessens, A. Medina, D. González -Rodríguez, E. Gutiérrez-Puebla, A. Monge, I. Alkorta, J. Elguero, T. Torres, Chem. Eur. J., 14 1342-1350 (2008) Synthesis, Characterization, Molecular Structure and Theoretical Studies of Axially Fluoro-Substituted Subazaporphyrins.

1260 P. Sanz, O. Mó, M. Yáñez, J. Elguero, Chem. Eur. J., 14 4225-4232 (2008) Bonding in Tropolone, 2-Aminotropone, and Aminotroponimine: No Evidence of Resonance-Assisted Hydrogen-Bond Effects.

1261 E. M. García-Frutos, B. Gómez-Lor, Á. Monge, E. Gutiérrez-Puebla, I. Alkorta, J. Elguero, Chem. Eur. J., 14 8555-8561 (2008) Synthesis and Preferred All-syn Conformation of C3-Symmetrical N-(Hetero)arylmethyl Triindoles.

1262 M. Solimannejad, I. Alkorta, J. Elguero, Chem. Phys. Lett., 454 201-206 (2008) A computational study of dimers and trimers of hypohalous acids.

1263 D. Quiñoñero, A. Frontera, P. M. Deyà, I. Alkorta, J. Elguero, Chem. Phys. Lett., 460 406-416 (2008) Interaction of positively and negatively charged aromatic hydrocarbons with benzene and triphenylene: Towards a model of pure organic insulators.

1264 E. Cavero, R. Giménez, S. Uriel, E. Beltrán, J. L. Serrano, I. Alkorta, J. Elguero, Cryst. Growth& Des., 8 838-847 (2008) The Boat Conformation in Pyrazaboles. A Theoretical and Experimental Study.

1265 B. R. Manzano, F. A. Jalón, I. M. Ortiz, M. L. Soriano, F. Gómez de la Torre, J. Elguero, M. A. Maestro, K. Mereiter, T. D. W. Claridge, Inorg. Chem., 47 413-428 (2008) Self-assembly of Ligands Designed for the Building of a New Type of [2 x 2] Metallic Grid. Anion Encapsulation and Diffusion NMR Spectroscopy.

93 1266 J. M. Lopez del Amo, U. Langer, V. Torres, G. Buntkowsky, H.-M. Vieth, M. Pérez-Torralba, D. Sanz, R. M. Claramunt, J. Elguero, H.-H. Limbach, J. Am. Chem. Soc., 130 8620-8632 (2008) NMR Studies of Ultrafast Intramolecular Proton Tautomerism in Crystalline and Amorphous N,N′-Diphenyl- 6-aminofulvene-1-aldimine: Solid-State, Kinetic Isotope, and Tunneling Effects.

1267 M. Sánchez, M. B. Ferraro, I. Alkorta, J. Elguero, S. P. A. Sauer, J. Chem. Phys., 128 64318-1-64318-8 (2008) Atomic partition of the optical rotatory power of methylhydroperoxide.

1268 I. Alkorta, J. Elguero, M. Solimannejad, J. Chem. Phys., 129 64115-1-64115-8 (2008) Dihydrogen bond cooperativity in (HCCBeH)n clusters.

1269 J. E. Del Bene, I. Alkorta, J. Elguero, J. Chem. Theory Comput., 4 967-973 (2008) A Systematic Comparison of Second-Order Polarization Propagator Approxi-mation (SOPPA) and Equation- of-Motion Coupled Cluster Singles and Doubles (EOM-CCSD) Spin-Spin Coupling Constants for Selected Singly Bonded Molecu-les, and the Hydrides NH 3, H 2O, and HF and Their Protonated and Deprotona-ted Ions and Hydrogen-Bonded Complexes.

1270 M. D. M. C. Ribeiro da Silva, M. A. V. Ribeiro da Silva, V. L. S. Freitas, M. V. Roux, P. Jiménez, M. Temprado, J. Z. Davalos, P. Cabildo, R. M. Claramunt, J. Elguero, J. Chem. Thermodyn., 40 386-393 (2008) Structural studies of cyclic ureas: 1. Enthalpies of formation of imidazolidin-2-one and N,N' -trimethyleneurea.

1271 M. D. M. C. Ribeiro da Silva, M. A. V. Ribeiro da Silva, V. L. S. Freitas, M. V. Roux, P. Jiménez, M. Temprado, J. Z. Davalos, P. Cabildo, R. M. Claramunt, J. Elguero, J. Chem. Thermodyn., 40 1378-1385 (2008) Structural studies of cyclic ureas: 2. Enthalpy of formation of parabanic acid.

1272 F. Reviriego, I. Alkorta, J. Elguero, J. Mol. Struct., 891 325-328 (2008) Desmotropy in reduced plumbagins: a- and b-Dihydroplumbagins.

1273 I. Alkorta, F. Blanco, J. Elguero, J. Mol. Struct. THEOCHEM, 851 75-83 (2008) Heteropentalenes aromaticity: A theoretical study.

1274 C. Roussel, N. Vanthuyne, M. Bouchekara, A. Djafri, J. Elguero, I. Alkorta, J. Org. Chem., 73 403-411 (2008) Atropisomerism in the 2-Arylimino-N-(2-hydroxyphenyl)thiazoline Series: Influence of Hydrogen Bonding on the Racemization Process.

1275 G. Ballano, A. I. Jiménez, C. Cativiela, R. M. Claramunt, D. Sanz, I. Alkorta, J. Elguero, J. Org. Chem., 73 8575-8578 (2008) Structure of N,N′-Bis(amino acids) in the Solid State and in Solution. A 13C and 15N CPMAS NMR Study.

1276 I. Alkorta, F. Blanco, J. Elguero, J. Phys. Chem. A, 112 1817-1822 (2008) Molecular Complexes of Pentazolo[1,2-a]pentazole, N 8.

1277 I. Alkorta, J. Elguero, S. J. Grabowski, J. Phys. Chem. A, 112 2721-2727 (2008) How To Determine Whether Intramolecular H···H Interactions Can Be Classified as Dihydrogen Bonds.

1278 J. E. Del Bene, I. Alkorta, J. Elguero, J. Phys. Chem. A, 112 6338-6343 (2008) Ab Initio EOM-CCSD Spin-Spin Coupling Constants for Hydrogen-Bonded Formamide Complexes: Bridging Complexes with NH 3, (NH 3)2, H 2O, (H 2O) 2, FH, and (FH) 2.

1279 I. Alkorta, F. Blanco, J. Elguero,

94 J. Phys. Chem. A, 112 6753-6759 (2008) π-Systems as Simultaneous Hydride and Hydrogen Bond Acceptors.

1280 F. Blanco, I. Alkorta, J. Elguero, J. Phys. Chem. A, 112 7682-7688 (2008) The Structure of Alkali Metal Derivatives of Azoles: N-σ versus π Structures.

1281 J. E. Del Bene, I. Alkorta, J. Elguero, J. Phys. Chem. A, 112 7925-7929 (2008) Spin-Spin Coupling across Intermolecular F-Cl···N Halogen Bonds.

1282 I. Alkorta, F. Blanco, M. Solimannejad, J. Elguero, J. Phys. Chem. A, 112 10856-10863 (2008) Competition of Hydrogen Bonds and Halogen Bonds in Complexes of Hypohalous Acids with Nitrogenated Bases.

1283 I. Alkorta, F. Blanco, J. Elguero, J. Phys. Org. Chem., 21 381-386 (2008) Theoretical study of racemization in chiral alkenylidene truxenes.

1284 I. Alkorta, P. F. Provasi, G. A. Aucar, J. Elguero, Magn. Reson. Chem., 46 356-361 (2008) 2 A computational study of JHH (gem) indirect spin–spin coupling constants in simple hydrides of the second and third periods.

1285 J. E. Del Bene, I. Alkorta, J. Elguero, Magn. Reson. Chem., 46 457-463 (2008) Spin–spin coupling across intramolecular N–H+–N hydrogen bonds in models for proton sponges: an ab initio investigation.

1286 I. Alkorta, J. Elguero, G. S. Denisov, Magn. Reson. Chem., 46 599-624 (2008) A review with comprehensive data on experimental indirect scalar NMR spin–spin coupling constants across hydrogen bonds.

1287 M. Á. García, R. M. Claramunt, J. Elguero, Magn. Reson. Chem., 46 697-700 (2008) 13 C and 15 N NMR chemical shifts of 1-(2,4-dinitrophenyl) and 1-(2,4,6-trinitrophenyl) pyrazoles in the solid state and in solution.

1288 A. M. S. Silva, R. M. S. Sousa, M. L. Jimeno, F. Blanco, I. Alkorta, J. Elguero, Magn. Reson. Chem., 46 859-864 (2008) Experimental measurements and theoretical calculations of the chemical shifts and coupling constants of three azines (benzalazine, acetophenoneazine and cinnamaldazine).

1289 A. Perona, D. Sanz, R. M. Claramunt, J. Elguero, Magn. Reson. Chem., 46 930-938 (2008) NMR studies of novel Schiff bases derived from L-α-amino methyl esters and 3-hydroxypyridin-4- carboxaldehyde.

1290 J. E. Del Bene, P. F. Provasi, I. Alkorta, J. Elguero, Magn. Reson. Chem., 46 1003-1006 (2008) Resolving an apparent discrepancy between theory and experiment: spin–spin coupling constants for FCCF.

1291 J. E. Del Bene, J. Elguero, Mol. Phys., 106 1461-1471 (2008) Spin-spin coupling constants for water polymers and hydronium ion complexes with water.

1292 D. Sanz, R. M. Claramunt, I. Alkorta, J. Elguero, W. R. Thiel, T. Rüffer, New J. Chem., 32 2225-2232 (2008) A theoretical and experimental NMR study of the tautomerism of two phenylene-bis-C-substituted pyrazoles.

95 1293 C. Escolástico, M. Blanco, R. M. Claramunt, S. Sanz, J. Elguero, Open Org. Chem. J., 2 10-16 (2008) Microwave Synthesis of Arylmethyl Substituted Pyrazoles.

1294 I. Alkorta, F. Blanco, J. Elguero, Russ. J. Gen. Chem., 78 784-792 (2008) Acid Properties of Porphyrins and Related Systems.

1295 W. Holzer, R. M. Claramunt, C. López, I. Alkorta, J. Elguero, Solid State NMR, 34 68-76 (2008) A study in desmotropy.

1296 J. E. Del Bene, J. Elguero, Solid State NMR, 34 86-92 (2008) 19 19 19 1 F– F and F– H spin–spin coupling constants in cyclic FH polymers (FH) n, n = 2–6.

1297 I. Alkorta, J. Elguero, Solid State NMR, 34 105-109 (2008) + + + + 2+ 2+ Cation dinitrogen complexes [N 2…X…N 2] , X = H , Li , Na+, Be , Mg .

1298 I. Alkorta, F. Blanco, J. Elguero, Struct. Chem., 19 191-198 (2008) Proton transfer in C-halogen pyrazole cyclamers. A theoretical study.

1299 F. Blanco, D. H, O'Donovan, I. Alkorta, J. Elguero, Struct. Chem., 19 339-352 (2008) Substitution effects on neutral and protonated pyridine derivatives along the periodic table.

1300 V. Capriati, S. Florio, R. Luisi, B. Musio, I. Alkorta, F. Blanco, J. Elguero, Struct. Chem., 19 785-792 (2008) A computational study of the effect of C-lithiation on the NMR properties (chemical shifts and coupling constants) of aziridines.

1301 I. Rozas, I. Alkorta, J. Elguero, Struct. Chem., 19 1000-1007 (2008) Hydrogen bonds and ionic interactions in Guanidine/Guanidinium complexes: a computational case study.

1302 P. Cornago, R. M. Claramunt, L. Bouissane, J. Elguero, Tetrahedron, 64 3667-3673 (2008) A molecular balance to measure the strength of N–H··· π hydrogen bonds based on the tautomeric equilibria of C-benzylphenyl substituted NH-pyrazoles.

1303 I. Alkorta, F. Blanco, J. Elguero, Tetrahedron, 64 3826-3836 (2008) Application of Free-Wilson matrices to the analysis of the tautomerism and aromaticity of azapentalenes: a DFT study.

1304 P. Cornago, R. M. Claramunt, L. Bouissane, I. Alkorta, J. Elguero, Tetrahedron, 64 8089-8094 (2008) A study of the tautomerism of β-dicarbonyl compounds with special emphasis on curcuminoids.

1305 F. Blanco, I. Alkorta, J. Elguero, V. Cruz, B. Abarca, R. Ballesteros, Tetrahedron, 64 11150-11158 (2008) [1,2,3]Triazolo[1,5-a]pyridines. A theoretical (DFT) study of the ring–chain isomerization.

1306 I. Alkorta, J. Elguero, Tetrahedron Lett., 49 2060-2062 (2008) The relative stability of pyridinium and 1,7-diaza[12]annulenium quaternary salts.

1307 I. Alkorta, F. Blanco, J. Elguero, Tetrahedron Lett., 49 7246-7249 (2008) The use of a molecular balance derived from 5,5'-bipyrazole to calculate pi-pi stacking interactions.

96 1308 F. Blanco, M. Solinannejad, I. Alkorta, J. Elguero, Theor. Chem. Acc., 121 181-186 (2008) Inverse hydrogen bonds between XeH2 and hydride and fluoride derivatives of Li, Be, Na AND Mg.

Año 2009 (45 publicaciones)

1309 R. M. Claramunt, L. Bouissane, M. P. Cabildo, M. P. Cornago, J. Elguero, A. Radziwon, C. Pérez-Medina, Bioorg. Med. Chem., 17 1290-1296 (2009) Synthesis and biological evaluation of curcuminoid pyrazoles as new therapeutic agents in inflammatory bowel disease: Effect on matrix metalloproteinases.

1310 R. M. Claramunt, C. López, C. Pérez-Medina, M. Pérez-Torralba, J. Elguero, G. Escames, D. Acuña- Castroviejo, Bioorg. Med. Chem., 17 6180-6187 (2009) Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): Synthesis and biological evaluation.

1311 J. Elguero, I. Alkorta, R. M. Claramunt, C. López, D. Sanz, D. Santa María, Bioorg. Med. Chem., 17 8027-8031 (2009) Theoretical calculations of a model of nos indazole inhibitors: interaction of aromatic compounds with zn- porphyrins.

1312 I. Alkorta, F. Blanco, J. Elguero, Centr. Eur. J. Chem., 7 683-689 (2009) A theoretical study of the neutral and the double-charged cation of cyclo[8]pyrrole and its interaction with inorganic anions.

1313 C. Pi, J. Elguero, L. Wan, I. Alkorta, W. Zheng, L. Weng, Z. Chen, L. Wu, Chem. Eur. J. 15 6581-6585 (2009) 1,2,4-Diazaphospholide Complexes of Tin(II): From Nitride Stannylene to Stannylenated Ammonium Ions.

1314 M. Solimannejad, I. Alkorta, J. Elguero, Chem. Phys. Lett., 474 253-257 (2009) Stabilities and properties of ozone–nitrosyl hydride (O3–HNO) complexes: A computational study.

1315 D. H. O'Donovan, I. Rozas, F. Blanco, I. Alkorta, J. Elguero, Coll. Czech. Chem. Commun., 74 299-312 (2009) Chiral recognition in bicyclic guanidines.

1316 F. Blanco, I. Alkorta, J. Elguero, Croat. Chim. Acta, 82 173-183 (2009) Barriers about Double Carbon-Nitrogen Bond in Imine Derivatives Aldimines, Oximes, Hydrazones, Azines).

1317 I. Alkorta, M. Alvarado, J. Elguero, S. García-Granda, P. Goya, M. L. Jimeno, L. Menéndez-Taboada, Eur. J. Med. Chem., 44 1864-1869 (2009) The structure of Rimonabant in the solid state and in solution: An experimental and theoretical study.

1318 V. L. M. Silva, A. M. S. Silva, D. C. G. A. Pinto, J. Elguero, J. A. S. Cavaleiro, Eur. J. Org. Chem., ---- 4468-4479 (2009) Synthesis of New 1H-Indazoles through Diels–Alder Transformations of 4-Styrylpyrazoles under Microwave Irradiation Conditions.

1319 R. Ballesteros-Garrido, F. Blanco, R. Ballesteros, F. R. Leroux, B. Abarca, F. Colobert, I. Alkorta, J. Elguero, Eur. J. Org. Chem., ---- 5765-5778 (2009) 3-(Pyridin-2-yl)[1,2,3]triazolo[1,5-a]quinoline: A theoretical and experimental analysis of ring-chain isomerisation.

1320 R. Ballesteros-Garrido, F. Blanco, R. Ballesteros, F. R. Leroux, B. Abarca, F. Colobert, I. Alkorta, J. Elguero, Helv. Chim. Acta, 92 1952-1962 (2009) The structures of indazolin-3-one (= 1,2-dihydro-3H-indazol-3-one) and 7-nitroindazolin-3-one

97 1321 J. E. Del Bene, I. Alkorta, J. Elguero, J. Chem. Theory Comput., 5 208-216 (2009) Systematic Comparison of Second-Order Polarization Propagator Approximation (SOPPA) and Equation-of- Motion Coupled Cluster Singles and Doubles (EOM-CCSD) Spin-Spin Coupling Constants for Molecules with C, N, and O Double and Triple Bonds and Selected F-Substituted Derivatives.

1322 I. Alkorta, F. Blanco, J. Elguero, C. Estarellas, A. Frontera, D. Quiñonero, P. M. Deyà, J. Chem. Theory Comput., 5 1186-1194 (2009) Simultaneous interaction of tetrafluoroethene with anions and hydrogen-bond donors: a cooperativity study.

1323 J. E. Del Bene, M. Yáñez, I. Alkorta, J. Elguero, J. Chem. Theory Comput., 5 2239-2247 (2009) An ab initio study of the structures and selected properties of 1,2-dihydro-1,2-azaborine and related molecules.

1324 M. Yáñez, P. Sanz, O. Mó, I. Alkorta, J. Elguero, J. Chem. Theory Comput., 5 2763-2771 (2009) Beryllium bonds, do they exist?

1325 M. D. M. C. Ribeiro da Silva, M. A. V. Ribeiro da Silva, V. L. S. Freitas, M. V. Roux, P. Jiménez, M. Temprado, J. Z. Davalos, P. Cabildo, R. M. Claramunt, J. Elguero, J. Chem. Thermodyn., 41 1400-1407 (2009) Structural studies of cyclic ureas: 3. Enthalpy of formation of barbital.

1326 C. Pérez Medina, C. López, R. M. Claramunt, J. Elguero, J. Heterocycl. Chem,. 46 1408-1412 (2009) Synthesis, reactivity, and NMR spectroscopy of 4,6- and 6,7-difluoro-3-methyl-1H-indazoles.

1327 I. Alkorta, M. Alvarado, J. Elguero, S. García-Granda, P. Goya, L. Torre-Fernández, L. Menéndez-Taboada, J. Mol. Struct., 920 82-89 (2009) Structural study of diarylazoles related to Rimonabant.

1328 D. Santa María, R. M. Claramunt, F. Herranz, I. Alkorta, J. Elguero, J. Mol. Struct., 920 323-326 (2009) A theoretical and experimental NMR study of (+)-biotin methyl ester.

1329 Y. Benchabane, G. Boyer, S. Humbel, I. Alkorta, J. Elguero, J. Mol. Struct., 928 132-137 (2009) A theoretical and NMR experimental study of N1,N3-di(3-aminoacridin-6-yl) isophthalamide and N2,N6-di(3- aminoacridin-6-yl)-2,6-dicarboxamide.

1330 R. Aggarwal, G. Sumran, R. M. Claramunt, D. Sanz, J. Elguero, J. Mol. Struct., 934 96-102 (2009) Synthesis and structural characterization of pyrazol-10-ylpyrazolo[1,5-a]pyrimidines by multinuclear NMR spectroscopy.

1331 I. Alkorta, F. Blanco, J. Elguero, J. Mol. Struct., Theochem, 896 92-95 (2009) The structure of two pyrazole esters related to Rimonabant.

1332 I. Alkorta, P. Goya, R. Pérez-Fernández, M. Alvarado, J. Elguero, S. García-Granda, L. Menéndez-Taboada, J. Mol. Struct., 937 10-15 (2009) Does 7-norcaranone (bicyclo[4.1.0]heptan-7-one) exist?

1333 F. Blanco, I. Alkorta, M. Solimannejad, J. Elguero, J. Phys. Chem. A, 113 3237-3244 (2009) Theoretical Study of the 1:1 Complexes between Carbon Monoxide and Hypohalous Acids.

1334 C. Estarellas, A. Frontera, D. Quiñonero, I. Alkorta, P. M. Deyà, J. Elguero, J. Phys. Chem. A, 113 3266-3273 (2009) Energetic vs Synergetic Stability: A Theoretical Study.

1335 J. I. Wu, F. G. Pühlhofer, P. von R. Schleyer, R. Puchta, B. Kiran, M. Mauksch, N. J. R. van Eikema Hommes,

98 I. Alkorta, J. Elguero, J. Phys. Chem. A, 113 6789-6794 (2009) The Effect of Perfluorination on the Aromaticity of Benzene and Heterocyclic Six-Membered Rings.

1336 J. E. Del Bene, I. Alkorta, J. Elguero, J. Phys. Chem. A, 113 8359-8365 (2009) Characterizing Complexes with F-Li+-F Lithium Bonds: Structures, Binding Energies, and Spin-Spin Coupling Constants.

1337 I. Alkorta, F. Blanco, J. Elguero, J. A. Dobado, S. Melchor Ferrer, I. Vidal, J. Phys. Chem. A, 113 8387-8393 (2009) Carbon···Carbon Weak Interactions.

1338 J. E. Del Bene, I. Alkorta, J. Elguero, J. Phys. Chem. A, 113 10327-10334 (2009) Characterizing Complexes with F-Li···N, H-Li···N, and CH3Li···N Lithium Bonds: Structures, Binding Energies, and Spin-Spin Coupling Constants.

1339 J. E. Del Bene, I. Alkorta, J. Elguero, J. Phys. Chem. A, 113 12411-12420 (2009) A systematic comparison of second-order polarization propagator approximation and equation-of-motion coupled cluster singles and doubles C-C, C-N, N-N, C-H, and N-H spin-spin coupling constants.

1340 F. Blanco, I. Alkorta, J. Elguero, J. Phys. Org. Chem., 22 747-755 (2009) N-sigma versus pi configuration in mono- and bis-pyrrole and imidazole derivatives of alkaline earth metals.

1341 M. A. García, R. M. Claramunt, T. Solcan, V. Milata, Ibon Alkorta, J. Elguero, Magn. Reson. Chem., 47 100-104 (2009) 13 C and 15 N NMR spectra of aminobenzimidazoles in solution and in the solid state.

1342 I. Alkorta, F. Blanco, J. Elguero, Magn. Reson. Chem., 47 249-256 (2009) A theoretical structural analysis of the factors that affect 1JNH, 1h JNH and 2h JNN in N–H···N hydrogen-bonded complexes.

1343 D. S. María, R. M. Claramunt, I. Alkorta, J. Elguero, Magn. Reson. Chem., 47 472-477 (2009) The behavior of Gliclazide in solution and in the solid state: a case of organic compound presenting a solid- solution structure.

1344 I. Alkorta, J. Elguero, H.-H. Limbach, I. G. Shenderovich, T. Winkler, Magn. Reson. Chem., 47 585-592 (2009) A DFT and AIM analysis of the spin–spin couplings across the hydrogen bond in the 2-fluorobenzamide and related compounds.

1345 C. López, R. M. Claramunt, E. Pinilla, M. R. Torres, I. Alkorta, J. Elguero, Magn. Reson. Chem., 47 917-924 (2009) Molecular complexes between π-excedent heterocycles (indoles and carbazole) and π-deficient polynitrobenzenes.

1346 V. L. M. Silva, A. M. S. Silva, D. C. G. A. Pinto, J. A. S. Cavaleiro, J. Elguero, Monatsch. Chem., 140 87-95 (2009) Synthesis of (E)- and (Z)-3(5)-(2-hydroxyphenyl)-4-styrylpyrazoles.

1347 P. Cornago, P. Cabildo, R. M. Claramunt, L. Bouissane, E. Pinilla, M. R. Torres, J. Elguero, New J. Chem., 33 125-135 (2009) The annular tautomerism of the curcuminoid NH-pyrazoles.

1348 G. Jiménez-Osés, J. Elguero, J. I. García, New J. Chem., 33 471-478 (2009) The unusual reactivity of benzene and monosubstituted benzenes towards tetracyanoethylene oxide: a

99 theoretical study.

1349 P. Sanz, O. Mó, M. Yáñez, J. Elguero, Phys. Chem. Chem. Phys., 11 762-769 (2009) The effects of C by N replacement on the hydrogen bonding of malonaldehyde: N-formylformimidic acid, N- (hydroxymethyl)formamide and related compounds.

1350 I. Alkorta, F. Blanco, J. Elguero, Struct. Chem., 20 63-71 (2009) A computational study of the cooperativity in clusters of interhalogen derivatives.

1351 O. Picazo, I. Alkorta, J. Elguero, M. R. Sundberg, J. Valo, K. Zborowski, Struct. Chem., 20 557-563 (2009) Chiral distinction in square planar Pt and Pd complexes of 2,2'-bipyridine derivatives.

1352 I. Alkorta, F. Blanco, J. Elguero, Tetrahedron, 65 5760-5766 (2009) Theoretical studies of azapentalenes. Part 4: Theoretical study of the properties of 3a,6a-diazapentalene.

1353 F. Blanco, I. AlkortaJ. Elguero, Tetrahedron, 65 6244-6250 (2009) Theoretical studies of azapentalenes. Part 5: Bimanes.

1354 I. Alkorta, J. E. Del Bene, J. Elguero, O. Mó, M. Yáñez, Tetrahedron, 65 6244-6250 (2009) A theoretical study of diborenes HLB=BLH for L = CO, NH 3, OH 2, PH 3, SH 2, CLH: Structures, energies, and spin–spin coupling constants.

Año 2010 (44 publicaciones)

1355 C. G. Oliva, N. Jagerovic, P. Goya, I. Alkorta, J. Elguero, R. Cuberes, A. Dordal, ARKIVOC, ii 127-147 (2010) N-Substituted-1,2,3-triazoles: synthesis, characterization and evaluation as cannabinoid ligands. Dedicated to Benito Alcaide.

1356 D. Sanz, A. Perona, R. M. Claramunt, E. Pinilla, M. R. Torres, J. Elguero, ARKIVOC, iii 103-113 (2010) Protonation effects on the chemical shifts of Schiff bases derived from 3-hydroxypyridin-4-carboxaldehyde. Dedicated to Benito Alcaide.

1357 V. L. M. Silva, A. M. S. Silva, D. C. G. A. Pinto, P. Rodríguez, M. Gómez, N. Jagerovic, L. F. Callado, J. A. S. Cavaleiro, J. Elguero, J. Fernández-Ruiz, ARKIVOC, x 226-247 (2010) Synthesis and pharmacological evaluation of new (E)- and (Z) -3-aryl-4-styryl-1H-pyrazoles as potential cannabinoid ligands.

1358 J. E. Del Bene, I. Alkorta, J. Elguero, Can. J. Chem., 88 694-699 (2010) Do corresponding coupling constants in hydrogen-bonded homo- and hetero-chiral dimers differ?

1359 I. Alkorta, J. Elguero, Chem. Phys. Lett., 489 35-38 (2010) A theoretical study of the stationary structures of the methane surface with special emphasis on NMR properties.

1360 I. Alkorta, J. Elguero, J. E. Del Bene, Chem. Phys. Lett., 489 159-163 (2010) An ab initio investigation of the properties of H 2:HX hydrogen-bonded complexes.

1361 M. Pietrzak, J. P. Wehling, S. Kong, P. M. Tolstoy, I. G. Shenderovich, C. López, R. M. Claramunt, J.

100 Elguero, G. S. Denisov, H.-H. Limbach, Chem. Eur. J., 16 1679-1690 (2010) Symmetrization of cationic hydrogen bridges of protonated sponges induced by solvent and counteranion interactions as revealed by NMR spectroscopy.

1362 I. Alkorta, J. Elguero, J. E. Del Bene, O. Mó, M. Yáñez, Chem. Eur. J., 16 11897-11905 (2010) New insights into factors influencing B:N bonding in X:BH 3:NFN and X:BH 3:NClN for X = N 2, HCN, LiCN, H2CNH, NF 3, NH 3 and n = 0–3: The importance of deformation.

1363 M. Pérez-Torralba, C. López, C. Pérez Medina, R. M. Claramunt, E. Pinilla, M. R. Torres, I. Alkorta, J. Elguero, Cryst. Eng. Commun., 12 4052-4055 (2010) An extraordinary fast proton transfer in the solid state between two indazolinone tautomers.

1364 C. Pérez-Medina, C. López, R. M. Claramunt, J. Elguero, Eur. J. Org. Chem. ---- 890-899 (2010) Trifluoro-3-hydroxy-1H-indazolecarboxylic acids and esters from perfluorinated benzenedicarboxylic acids.

1365 I. Alkorta, J. Elguero, R. M. Claramunt, C. López, D. Sanz, Heterocycl. Commun., 16 261-268 (2010) A theoretical multinuclear NMR study of pyrazolylborates.

1366 M. Á. García, P. Cabildo, R. M. Claramunt, E. Pinilla, M. R. Torres, I. Alkorta, J. Elguero, Inorg. Chim. Acta, 363 1332-1342 (2010) The interplay of hydrogen bonds and halogen bonds in the structure of NH-pyrazoles bearing C-aryl and C- halogen substituents.

1367 K. K. Zborowski, I. Alkorta, J. Elguero, Int. J. Quantum Chem., 110 2391-2397 (2010) A theoretical study of the sulfenate–sulfoxide rearrangement. effect of the hydrogen bond complexation.

1368 S. Graus, R. M. Tejedor, S. Uriel, J. L. Serrano, I. Alkorta, J. Elguero, J. Am. Chem. Soc., 132 7862-7863 (2010) Crystallization of an achiral cyclohexanone ethylene ketal in enantiomorphs and determination of the absolute structure.

1369 M. D. M. C. Ribeiro Da Silva, M. A. V. Ribeiro Da Silva, V. L. S. Freitas, M. V. Roux, P. Jiménez, J. Z. Davalos, P. Cabildo, R. M. Claramunt, E. Pinilla, M. R. Torres, J. Elguero, J. Chem. Thermodyn., 42 536-544 (2010) Energetic studies of urea derivatives: standard molar enthalpy of formation of 3,4,4'-trichlorocarbanilide.

1370 C. P. Frizzo, M. A. P. Martins, M. R. B. Marzari, P. T. Campos, R. M. Claramunt, M. A. García, D. Sanz, I. Alkorta, J. Elguero, J. Heterocycl. Chem., 47 1259-1268 (2010) Structural studies of 2-methyl-7-substituted pyrazolo[1,5-a]pyrimidines.

1371 R. M. Claramunt, M. Pérez-Torralba, D. Santa María, D. Sanz, B. Elena, I. Alkorta, J. Elguero, J. Magn. Reson., 206 274-279 (2010) 15 N–15 N spin–spin coupling constants through intermolecular hydrogen bonds in the solid state.

1372 I. Alkorta, F. Blanco, J. Elguero, J. Mol. Struct., 964 119-125 (2010) A SOPPA theoretical study of the spin–spin coupling constants of all fluorobenzenes C6HNF 6-n (n = 0–5).

1373 G. P. A. Yap, R. M. Claramunt, C. López, M. A. García, C. Pérez-Medina, I. Alkorta, J. Elguero, J. Mol. Struct., 965 74-81 (2010) The structures of chiral and racemate campho[2,3-c]pyrazole: A combined crystallographic, solid-state NMR and computational study.

1374 D. Sanz, R. M. Claramunt, I. Alkorta, J. Elguero, J. Mol. Struct., 969 106-110 (2010)

101 The solid-state structure of primary fatty amines: true amines or ammonium amides?

1375 G. Jacob, G. Hervé, I. Alkorta, J. Elguero, J. Mol. Struct., 979 180-185 (2010) An experimental and theoretical study of 1J( 13 C–14 N) coupling constants in nitro-aromatic and nitro- heteroaromatic compounds.

1376 P. Cabildo, R. M. Claramunt, C. López, M. A. García, M. Pérez-Torralba, E. Pinilla, M. R. Torres, I. Alkorta, J. Elguero, J. Mol. Struct., 985 75-81 (2010) Crystal and molecular structure of three biologically active nitroindazoles.

1377 J. E. Del Bene, I. Alkorta, J. Elguero, J. Phys. Chem. A 114 2637-2643 (2010) Probing 1J(C-F) and NJ(F-F) spin-spin coupling constants for fluoroazines: an ab initio theoretical investigation.

1378 J. E. Del Bene, I. Alkorta, J. Elguero, J. Phys. Chem. A 114 3713-3717 (2010) Ab initio study of nonadditivity effects: spin-spin coupling constants for tetrafluoroethene in ternary π complexes.

1379 J. E. Del Bene, I. Alkorta, J. Elguero, J. Phys. Chem. A 114 5205-5210 (2010) Ab initio EOM-CCSD investigation of one-bond C-C, N-C, and N-N spin-spin coupling constants in fluoroazines.

1380 I. Alkorta, F. Blanco, J. Elguero, J. Phys. Chem. A 114 8457-8462 (2010) Dihydrogen bond cooperativity in aza-borane derivatives.

1381 J. E. Del Bene, I. Alkorta, J. Elguero, J. Phys. Chem. A 114 8463-8473 (2010) Ab initio study of ternary complexes A···NCH···C with A,C = HCN, HF, HCl, CLF, and LiH: Energetics and spin-spin coupling constants across intermolecular bonds.

1382 J. Z. Dávalos, M. D. M. C. Ribeiro Da Silva, M. A. V. Ribeiro Da Silva, V. L. S. Freitas, M. V. Roux, P. Jiménez, P. Cabildo, R. M. Claramunt, J. Elguero, J. Phys. Chem. A 114 9237-9245 (2010) Computational thermochemistry of six ureas: Imidazolidin-2-one, N,N' -trimethyleneurea, benzimidazolinone, parabanic acid, barbital (5,5'-diethyl barbituric acid) and 3,4,4'-trichlorocarbanilide, with an extension to related compounds.

1383 J. E. Del Bene, I. Alkorta, J. Elguero, O. Mó, M. Yáñez, J. Phys. Chem. A 114 12775-12779 (2010) Structural and electronic effects on one-bond spin-spin coupling constants 1J(B-N) , 1 J(B-H), and 1J(B-F) for complexes of nitrogen bases with BH 3 and its fluoro-substituted derivatives.

1384 J. E. Del Bene, I. Alkorta, J. Elguero, J. Phys. Chem. A 114 12958-12962 (2010) Do traditional, chlorine-shared, and ion-pair halogen bonds exist? An ab initio investigation of FCl:CNX complexes.

1385 M. P. Coles, M. S. Khalaf, R. M. Claramunt, M. A. García, I. Alkorta, J. Elguero, J. Phys. Org. Chem., 23 526-535 (2010) Double proton transfer in crystals of 1,3,4,6,7,8-hexahydro-2h-pyrimido[1,2-a]pyrimidine (HPPH): 13 C and 15 N CPMAS NMR study of (HPPH) 2.

1386 F. Blanco, I. Alkorta, I. Rozas, J. Elguero, J. Phys. Org. Chem., 23 1155-1172 (2010) Chiral recognition in self-complexes of diketopiperazine derivatives.

102 1387 I. Alkorta, J. Elguero, A. M. S. Silva, A. C. Tomé, J. Porphyrins Phthalocyanines, 14 630-638 (2010) A theoretical study of the conformation of meso -tetraphenylporphyrin (TPPH 2), its anions, cations and metal complexes (Mg2+ , Ca2+ and Zn2+ ).

1388 I. Alkorta, F. Blanco, J. E. Del Bene, J. Elguero, L. Hernández-Folgado, M.-L. Jimeno, Magn. Reson. Chem., 48 68-73 (2010) Difluorobenzenes revisited: an experimental and theoretical study of spin–spin coupling constants for 1,2-, 1,3- , and 1,4-difluorobenzene.

1389 I. Alkorta, J. Elguero, Magn. Reson. Chem., 48 S32-S37 (2010) A theoretical NMR study of ortho and para -substituted benzenes compared with silabenzenes, pyridines and phosphabenzenes.

1390 J. C. Iglesias-Sánchez, D. Santa María, R. M. Claramunt, J. Elguero, Molecules, 15 1213-1222 (2010) Molecular recognition studies on naphthyridine derivatives.

1391 J. E. Del Bene, I. Alkorta, J. Elguero, Mol. Phys., 108 1367-1373 (2010) Two-, three-, and four-bond N–F spin–spin coupling constants in fluoroazines.

1392 I. Alkorta, J. Elguero, Struct. Chem., 21 755-759 (2010) Influence of the basis set on the calculation of the absolute 13 C shieldings of methyl derivatives (CH3X WITH X = CH 3, CN, NH 2, NO 2, OH, F) with special emphasis in the cases of X = Cl, Br, SH, SeH, and PH 2.

1393 I. Alkorta, J. Elguero, Struct. Chem., 21 855-891 (2010) Conformational analysis of dibenzo[ a,e] cyclooctadiene and three related heterocyclic compounds.

1394 I. Alkorta, F. Blanco, J. Elguero, R. M. Claramunt, Tetrahedron, 66 2863-2868 (2010) The azido-tetrazole and diazo-1,2,3-triazole tautomerism in six-membered heteroaromatic rings and their relationships with aromaticity: Azines and perimidine. Dedicated to Prof. Geneviève Pfister- Guillouzo.

1394 I. Alkorta, F. Blanco, J. Elguero, Tetrahedron, 66 5071-5081 (2010) The azido-tetrazole tautomerism and its relationship with aromaticity and nmr properties. Dedicated to Prof. Minh Tho Nguyen.

1396 I. Alkorta, J. Elguero, Tetrahedron Asymm., 21 437-442 (2010) A theoretical analysis of the conformational space of tris(2-methyl-benzimidazol-1-yl)methane.

1397 I. Alkorta, F. Blanco, J. Elguero, D. Schröder, Tetrahedron Asymm., 21 962-968 (2010) Distinction between homochiral and heterochiral dimers of 1-aza[n]helicenes (n = 1–7) with alkaline cations.

1398 I. Alkorta, F. Blanco, J. Elguero, J. Mol. Struct., Theochem, 942 1-6 (2010) A theoretical comparison of the chemical shifts of three related heterocycles: 1 H-pyrazoles, 1 H-1,2,4-triazoles and 1 H-1,2,4-diazaphospholes.

1399 I. Alkorta, F. Blanco, P. M. Deyà, J. Elguero, C. Estarellas, A. Frontera, D. Quiñonero, Theor. Chem. Acc., 126 1-14 (2010) Cooperativity in multiple unusual weak bonds.

Año 2011 (43 publicaciones)

103

1400 I. Alkorta, J. Elguero, ARKIVOC, iii 99-113 (2011) Pyridinium-N-(2-pyridyl)aminides and related compounds: A theoretical study. Issue in Honor of Prof. Julio Álvarez-Builla.

1401 D. Santa María, R. M. Claramunt, S. F. Vasilevsky, S. V. Klyatskaya, I. Alkorta, J. Elguero, ARKIVOC, iii 114-127 (2011) High resolution NMR of free radicals: 13 C magic angle spinning of two solid organic free radicals derived from 4,5-dihydro-1H-imidazol-3-oxide-1-oxyl and theoretical calculation of their NMR properties. Issue in Honor of Prof. Julio Álvarez-Builla.

1402 J. E. Del Bene, I. Alkorta, J. Elguero, Chem. Phys. Lett., 508 6-9 (2011) Do nitrogen bases form chlorine-shared and ion-pair halogen bonds?

1403 F. Blanco, B. Kelly, I. Alkorta, I. Rozas, J. Elguero, Chem. Phys. Lett., 511 129-34 (2011) Cation–π interactions: Complexes of guanidinium and simple aromatic systems.

1404 J. E. Del Bene, I. Alkorta, G. Sánchez-Sanz, J. Elguero, Chem. Phys. Lett., 512 184-187 (2011) 31 P-31 P spin-spin coupling constants for pnicogen homodimers.

1405 I. Alkorta, J. Elguero, Comput. Theor. Chem., 964 25-31 (2011) A computational study of the conformation of heterocyclic systems related to biphenyl.

1406 I. Alkorta, J. Elguero, C. Roussel, Comput. Theor. Chem., 966 334-339 (2011) A theoretical study of the conformation, basicity and nmr properties of 2,2'-, 3,3'- and 4,4'-bipyridines and their conjugated acids.

1407 I. Alkorta, C. Trujillo, J. Elguero, M. Solimannejad, Comput. Theor. Chem., 967 147-151 (2011) A theoretical study of the hydrogen bonding properties of H 2B=NH2. Some considerations on the basis set superposition error issue.

1408 G. Sánchez-Sanz, I. Alkorta, J. Elguero, Comput. Theor. Chem., 974 37-42 (2011) A theoretical study of the conformation of 2,2'-bifuran, 2,2'-bithiophene, 2,2'-bitellurophene and mixed derivatives: Chalcogen–chalcogen interactions or dipole–dipole effects?

1409 R. Ballesteros-Garrido, L. Bonnafoux, F. Blanco, R. Ballesteros, F. R. Leroux, B. Abarca, F.Colobert, I. Alkorta , J. Elguero , Dalton Trans., 40 1387-1395 (2011) [1,2,3]Triazolo[1,5-a]pyridyl phosphines reflecting the influence of phosphorus lone pair orientation on spectroscopic properties.

1410 M. C. Carrión, I. M. Ortiz, F. A. Jalón, B. R. Manzano, A. M. Rodríguez, J. Elguero, Cryst. Growth Des., 11 1766-1776 (2011) Ag(I) and Cu(I) [2×2] chiral grids containing pyrimidine ligands with camphor moieties. Arene encapsulation.

1411 J. Elguero, Cryst. Growth Des., 11 4731-4738 (2011) Polymorphism and desmotropy in heterocyclic crystal structures.

1412 R. M. Claramunt, C. López, A. López, C. Pérez-Medina M. Pérez-Torralba, I. Alkorta, J. Elguero, G. Escames, D. Acuña-Castroviejo, Eur. J. Med. Chem., 46 1439-1447 (2011) Synthesis and biological evaluation of indazole derivatives.

104 1413 A. Sola, R. A. Orenes, M. A. García, R. M. Claramunt, I. Alkorta, J. Elguero, A. Tárraga, P. Molina, Inorg. Chem., 50 4212-4220 (2011) Unprecedented 1,3-diaza[3]ferrocenophane scaffold as molecular probe for anions.

1414 W. Zheng, I. Alkorta, D. Yang, L. Wan, M. Zhao, J. Elguero, Inorg. Chem., 50 12408-12410 (2011) Synthesis and structural characterization of 1,2,4-diazaphospholide complexes of titanium(IV) and titanium(III).

1415 I. Alkorta, J. Elguero, P. F. Provasi, G. I. Pagola, M. B. Ferraro, J. Chem. Phys., 135 104166-1-9 (2011) Electric field effects on nuclear magnetic shielding of the 1:1 and 2:1 (homo and heterochiral) complexes of XOOX' (X, X' = H, CH 3) with lithium cation and their chiral discrimination.

1416 A. Salgado, C. Varela, A. M. García Collaz, F. García, P. Pevarello, I. Alkorta, J. Elguero, J. Mol. Struct., 987 13-24 (2011) Synthesis of [1,2,4]-triazolo[1,5-a]pyrimidines by Dimroth rearrangement of [1,2,4]-triazolo[4,3- a]pyrimidines: A theoretical and NMR study.

1417 D. Santa María, M. A. Farrán, M. A. García, E. Pinilla, M. R. Torres, J. Elguero, R. M. Claramunt, J. Org. Chem., 76 6780-6788 (2011) Synthetic hosts for molecular recognition of ureas.

1418 I. Alkorta, J. Elguero, M. Solimannejad, S. J. Grabowski, J. Phys. Chem. A, 115 201-210 (2011) Dihydrogen bonding vs . metal-sigma interaction in complexes between H 2 and metal hydride.

1419 J. E. Del Bene, I. Alkorta, J. Elguero, J. Phys. Chem. A, 115 201-210 (2011) Structures, energies, and spin-spin coupling constants of fluoro-substituted 1,3-diborata-2,4- diphosphoniocyclobutanes: four-member B:P:B:P rings B2P2FNH 8n with n = 0, 1, 2, 4.

1420 I. Alkorta, J. Elguero, P. F. Provasi, M. B. Ferraro, J. Phys. Chem. A, 115 7805-7810 (2011) Theoretical study of the 1:1 and 2:1 (homo- and heterochiral) complexes of XOOX' (X, X' = H, CH 3) with lithium cation.

1421 C. Curutchet, J. Poater, M. Solà, J. Elguero, J. Phys. Chem. A, 115 8571-8577 (2011) Analysis of the effect of N-substituents on some aspects of the aromaticity of imidazoles and pyrazoles.

1422 J. E. Del Bene, I. Alkorta, J. Elguero, J. Phys. Chem. A, 115 10502-10510 (2011) Structures, energies, and spin-spin coupling constants of methyl-substituted 1,3-diborata-2,4-diphosphoniocyclobutanes: Four-member B–P–B–P rings B 2P2(CH 3)NH 8n, with n = 0, 1, 2, 4.

1423 J. E. Del Bene, I. Alkorta, J. Elguero, J. Phys. Chem. A, 115 12677-12687 (2011) Ab initio study of ternary complexes X:(HCNH) + :Z WITH X, Z = NCH, CNH, FH, ClH, AND FCl: Diminutive cooperative effects on structures, binding energies, and spin_spin coupling constants across hydrogen bonds.

1424 C. Trujillo, G. Sánchez-Sanz, I. Alkorta, J. Elguero, J. Phys. Chem. A, 115 13124-13132 (2011) Simultaneous interactions of anions and cations with cyclohexane and adamantane: Aliphatic cyclic hydrocarbons as charge insulators.

1425 J. E. Del Bene, I. Alkorta, G. Sánchez-Sanz, J. Elguero, J. Phys. Chem. A, 115 13724-13731 (2011) Structures, energies, bonding, and NMR properties of pnicogen complexes H2XP:NXH2 (X = H, CH 3, NH 2, OH, F, Cl).

105 1426 I. Alkorta, J. Elguero, P. Popelier, J. Phys. Org. Chem. 24 744-750 (2011) Thermodynamic and kinetic effects of Lewis acid complexation on a Schiff base present in two tautomeric forms.

1427 A. C. Tomé, A. M. S. Silva, I. Alkorta, J. Elguero, J. Porphyrins Pthalocyanines, 15 1-28 (2011) Atropisomerism and conformational aspects of meso -tetraarylporphyrins and related compounds. A review.

1428 Al M. Lamsabhi, M. Yáñez, O. Mó, C. Trujillo, F. Blanco, I. Alkorta, J. Elguero, E. Caballero, M. S. Rodríguez-Morgade, C. G. Claessens, T. Torres, J. Porphyrins Pthalocyanines, 15 1220-1230 (2011) TDDFT study of the UV-VIS spectra of subporphyrazines and subphthalocyanines.

1429 G. Sánchez-Sanz, I. Alkorta, J. Elguero, Mol. Phys., 109 2543-2552 (2011) Theoretical study of the HXYH dimers (X, Y = O, S, Se). Hydrogen bonding and chalcogen–chalcogen interactions.

1430 R. S. G. R. Seixas, A. M. S. Silva, I. Alkorta, J. Elguero, Monatsh. Chem., 142 731-742 (2011) An experimental NMR and computational study of 4-quinolones and related compounds.

1431 G. Jiménez-Osés, J. I. García, F. Corzana, J. Elguero, Org. Lett., 13 2528-2531 (2011) Accurate calculation of chemical shifts in highly dynamic H2@C60 through an integrated quantum mechanics/molecular dynamics scheme.

1432 F. Blanco, I. Alkorta, I. Rozas, M. Solimannejad, J. Elguero, Phys. Chem. Chem. Phys., 13 674-683 (2011) A theoretical study of the interactions of NF 3 with neutral ambidentate electron donor and acceptor molecules.

1433 J. E. Del Bene, I. Alkorta, J. Elguero, Phys. Chem. Chem. Phys., 13 13951-13961 (2011) An ab initio study of cooperative effects in ternary complexes X:CNH:Z with X, Z = CNH, FH, ClH, FCl, and HLi: Structures, binding energies, and spin–spin coupling constants across intermolecular bonds.

1434 I. Alkorta,I. Soteras, J. Elguero, J. E. Del Bene, Phys. Chem. Chem. Phys., 13 14026-14032 (2011) The boron–boron single bond in diborane(4) as a non-classical electron donor for hydrogen bonding.

1435 I. Alkorta, J. Elguero, Struct. Chem., 22 707-715 (2011) Modeling the allosteric effect: modification of the tautomerism by intermolecular interactions and extension to molecular wires.

1436 I. Alkorta, J. Elguero, Struct. Chem., 22 1087-1094 (2011) Conformational analysis of N,N' -dinaphthyl heterocyclic carbenes: Imidazol-2-ylidenes and imidazolin-2- ylidenes.

1437 D. Sanz, R. M. Claramunt, M. A. García, I. Alkorta, J. Elguero, Tetrahedron, 67 4633-4639 (2011) 13 15 A C and N experimental NMR and theoretical study of the structure of linear primary aliphatic amines and ammonium salts: From C1 to C18.

1438 I. Alkorta, G. Sánchez-Sanz, J. Elguero, Tetrahedron, 67 7316-7320 (2011)

Isomerization barriers in bis(4 H-thiopyran) and in bithioxanthenes.

1439 F. Blanco, I. Alkorta, J. Elguero, Tetrahedron, 67 8724-8730 (2011)

106 A theoretical study of the effect of copper(I) chloride on the azido/tetrazole isomerism.

1440 N. Fresno, R. Pérez-Fernández, P. Goya, M. L. Jimeno, I. Alkorta, J. Elguero, L. Menéndez-Taboada, S. García-Granda, Tetrahedron, 67 9104-9111 (2011) Oxazolidinone cross-alkylation during evans’ asymmetric alkylation reaction.

1441 N. Vanthuyne, C. Roussel, J.-V. Naubron, N. Jagerovic, P. Morales-Lázaro, I. Alkorta, J. Elguero, Tetrahedron Asymm., 22 1120-1124 (2011) Determination of the absolute configuration of 1,3,5-triphenyl-4,5-dihydro pyrazole enantiomers by a combination of VCD, ECD measurements, and theoretical calculations.

1442 I. Alkorta, J. Elguero, C. Roussel, Tetrahedron Asymm., 22 1180-1183 (2011)

Rates of enantiomerization in axially chiral 2,2'-bipyridines with restricted rotation: An ab initio study.

1443 I. Alkorta, J. Elguero, Theor. Chem. Acc., 128 563-567 (2011) An ab initio study of the proton transfer and tautomerization processes in hydroxycarbene.

Año 2012 (3 publicaciones)

1444 N. Fresno, R. Pérez, M. L. Jimeno, I. Alkorta, G. Sánchez-Sanz, J. Elguero, J. E. Del Bene, J. Heterocycl. Chem., (2012) Multinuclear NMR characterization of cyanuric fluoride (2,4,6-trifluoro-1,3,5-triazine).

1445 C. I. Nieto, M. Á. García, M. Á. Farrán, R. M. Claramunt, M. C. Torralba, M. R. Torres, I. Alkorta, J. Elguero, J. Mol. Struct., 1008 88-94 (2012) Two polymorphs of 8-hydroxycarbostyril: x-ray crystallography, solid-state NMR and DFT calculations.

1446 L. Hernández-Folgado, J. M. Cumella, P. Morales, I. Alkorta, J. Elguero, N. Jagerovic, J. Mol. Struct., 1008 88-94 (2012) Tautomerism of hydroxychromenopyrazoles.

Libros y capítulos de libros

2001 J. Elguero, C. Marzin, A. R. Katritzky, P. Linda, The Tautomerism of Heterocycles , Academic Press, New York, 1976, 655 pages.

2002 J. Elguero, C. Marzin «N-Heteroiminium Salts», Iminium Salts in Organic Chemistry, Part I , John Wiley & Sons, New York, 1976, p. 533-587.

2003 J. Elguero, R. M. Claramunt, A. J. H. Summers «The Chemistry of Aromatic Azapentalenes», Advances in Heterocyclic Chemistry, New York, 1978, Volume 22 , p. 183-320.

2004 J. Elguero, J. de Mendoza «Heterocyclic Chemistry. Part II. Systems containing nitrogen and sulphur, selenium ot tellurium», Royal Society of Chemistry, London, 1981, p. 111-150.

2005 J. Elguero «Pyrazoles and Benzo Derivatives», Comprehensive Heterocyclic Chemistry , London, 1983, Volume 5, p. 167- 304.

2006 J. Catalán, J. L. M. Abboud, J. Elguero «Basicity and Acidity of Azoles», Advances in Heterocyclic Chemistry, New York, 1987, Volume 41 , p. 187-274.

2007 H. H. Limbach, G. Scherer, L. Meschede, F. Aguilar-Parrilla, B. Wehrle, J. Braun, C. Hoelger, H. Benedict, G. Buntkowsky, W. P. Feldhammer, J. Elguero, J. A. S. Smith, B. Chaudret «Ultrafast Reaction Dynamics and Solvent Effects, Experimental and Theoretical Aspects», American Institute of

107 Physics, New York, 1993, Volume 298 , p. 225-239.

2008 J. Elguero «Reconocimiento de patrones», en Diseño de Medicamentos , Coordinador: A. Mosqueira, Real Academia de Farmacia, 1994, 341-356.

2009 A. L. Llamas-Sáiz, C. Foces-Foces, J. Elguero «Esponjas protónicas: descripción estructural y relación con propiedades termodinámicas y cineticas», Nuevas Tendencias, Cristalografía , CSIC, 1995, 125-152.

2010 J. Elguero, H. H. Limbach, F. Aguilar-Parrilla, R. M. Claramunt, C. López «Resonancia magnética nuclear de alta resolución en estado sólido: un auxiliar de la cristalo-grafía», Nuevas Tendencias, Cristalografía , CSIC, 1995, 287-309.

2011 J. Elguero «Pyrazoles and Benzo Derivatives», Comprehensive Heterocyclic Chemistry-II , London, 1996, Volume 3, p. 1- 76.

2012 R. M. Claramunt, J. Elguero, C. Escolástico, C. Fernández-Castaño, C. Foces-Foces, A. L. Llamas-Saiz, M. D. Santa María, «Polyazolylbenzenes and related compounds: propellene-like aromatic molecules», Targets in Heterocyclic Systems , Italian Society of Chemistry, Roma, 1997, Volume 1, p. 1-56.

2013 J. Elguero, A. Katritzky, O. V. Denisko «The Prototropic Tautomerism of Heterocycles: Part 1. Heteroaromatic Tautomerism - General Overview and Methodology», Advances in Heterocyclic Chemistry , New York, 2000, Volume 76 , p. 1-84.

2014 W. Friedrichsen, T. Traulsen, J. Elguero, A. R. Katritzky «The Tautomerism of Heterocycles: Chapter 3. Five-Membered Rings with One Heteroatom», Advances in Heterocyclic Chemistry , New York, 2000, Volume 76 , p. 85-156.

2015 V. I. Minkin, A. D. Garnosvskii, J. Elguero, A. R. Katritzky, O. V. Denisko «The Tautomerism of Heterocycles: Part 4. Five-Membered Rings with Two or More Heteroatoms», Advances in Heterocyclic Chemistry , New York, 2000, Volume 76 , p. 157-323.

2016 R. M. Claramunt, J. Elguero, A. R. Katritzky «The Tautomerism of Heterocycles: Chapter 6. Tautomerism Involving Other Than Five- and Six-Membered Rings», Advances in Heterocyclic Chemistry , New York, 2000, Volume 77 , p. 1-50.

2017 I. Shcherbakova, J. Elguero, A. R. Katritzky «The Tautomerism of Heterocycles: Chapter 5. Condensed Five-Six, Five-Five and Six-Six Ring Systems with Heteroatoms in Bothg Rings», Advances in Heterocyclic Chemistry , New York, 2000, Volume 77 , p. 51-113.

2018 J. Elguero, C. Foces-Foces, D. Sanz, R. M. Claramunt «Azolides: Structural Aspects», Advances in Nitrogen Heterocycles , Stamford, 2000, Volume 4, p. 295-367.

2019 V. Milata, R. M. Claramunt, J. Elguero, P. Zalupsky «Chemical Structure and Antibacterial Activity of 4-Quinolones: Incidence in Nature, Preparations and Properties», Targets in Heterocyclic Systems , Italian Society of Chemistry, Roma, 2000, Volume 4, p. 167-203.

2020 S. F. Vasilevsky, E. V. Tretyakov, J. Elguero «Synthesis and Properties of Acetylenic Derivatives of Pyrazoles», Advances in Heterocyclic Chemistry , New York, 2002, Volume 82 , p. 1-99.

2021 J. Elguero, P. Goya, N. Jagerovic, A. M. S. Silva «Pyrazoles as Drugs: Facts and Fantasies», Targets in Heterocyclic Systems , Italian Society of Chemistry, Roma, 2002, Volume 6, p. 52-98.

2022 J. Del Bene, J. Elguero 2h Two-bond spin-spin coupling constants JX-Y across X-H-Y hydrogen bonds; some fundamental questions. Advances in Quantum Chemistry , 2005, vol. 50 , 23-35.

108 2023 J. Del Bene, J. Elguero Predicting and Understanding the Signs of One- and Two-Bond Spin-Spin Coupling Constants across X-H-Y Hydrogen Bonds. Computational Chemistry: Reviews of Current Trends (Ed. J. Leszczynski), 2006, vol. 10 , 229-264.

2024 R. M. Claramunt, C. López, M. D. Santa María, D. Sanz, J. Elguero, Prog. NMR Spectrosc ., 49 169-206 (2006) The use of NMR spectroscopy to study tautomerism.

2025 B. Dolensky, J. Elguero, V. Král, C. Pardo, M. Valík, Adv. Heterocycl. Chem., 93 1-56 (2007) Current Tröger's Base Chemistry.

2026 I. ALKORTA, J. Elguero, Practical aspects of computational chemistry, 3 36-86 (2009) Current Tröger's Base Chemistry.

2027 I. Alkorta, J. Elguero, Top. Heterocycl. Chem., 19 155-202 (2009) How Aromaticity Affects the Chemical and Physicochemical Properties of Heterocycles: A Computational Approach.

2028 I. Alkorta, J. Elguero, Computational Spectroscopy. ---- 37-62 (2010) Computational NMR Spectroscopy. Computational Spectroscopy. Methods, Experiments and Applications, Ed. J. Grunenberg.

2029 J. Elguero, A. M. S. Silva, A. C. Tomé, Modern Heterocyclic Chemistry, 2 635-726 (2011) Five-membered heterocycles: 1,2-Azoles. Part 1. Pyrazoles.

2030 A. M. S. Silva, A. C. Tomé, T. Pinho e Melo, J. Elguero, Modern Heterocyclic Chemistry, 2 727-808 (2011) Five-membered heterocycles: 1,2-Azoles. Part 2. Isothiazoles and isoxazoles.

Asuntos geneales

3001 J. Elguero Reunión de Grupo de Química Orgánica, La Toja, (1981)

3002 J. Elguero «La lucha antiparasitaria objetivo prioritario. España alcanza niveles de país rndémico subdesarrolado», La Vanguaria , Domingo 14 Noviembre 1982.

3003 J. Elguero, R. Phan Tan Luu «Estrategia, investigación e informática», Prisma, La Vanguaria , Domingo 20 Marzo 1983.

3004 J. Elguero, Discurso inaugural del nuevo presidente, Boletín de información, CSIC, abril-mayo 21 , 1-5 (1983)

3005 J. Elguero, «Consideraciones generales sobre la ciencia española en este siglo» Revista de Intercambio Académico, Unam 5-19 (1984)

3006 J. Elguero, «La química española actual», Tendencias actuales en química , CAICYT, Santander, 9-16 (1985)

3007 Nicolás Cabrera José Elguero, Javier Solana, Federico Mayor, Fernando De Asúa,

109 Un equipo de científicos españoles ha conseguido espectaculares resultados con este nuevo instrumento . El País, 18 de enero (1985)

3008 M. Torreiglesias, Entrevista a José Elguero Bertolini, Muy Interesante , 71 100-104 (1987)

3009 J. Elguero, «Reflexiones sobre la última década de la química española», Política Científica, CICYT, 19 83-88 (1989)

3010 J. Elguero, «Química», España-Ciencia, Editorial Espasa Calpe, Madrid, 229-261 (1990)

3011 J. Elguero «La Química: De la ingeniería molecular al diseño de propiedades» Mundo Científico (Versión en Castellaño de La Recherche) 113 472-479 (1991)

3012 J. Elguero «Procesos químicos y reacciones en condiciones extremas o no clásicas», Política Científica , CICYT, 28 37-39 (1991)

3013 J. Elguero «La química y su proyección interdisciplinar», Saberes de España , Ministerio de Cultura, Madrid, 41-46 (1994)

3014 J. Elguero, «Pasado, presente y futuro de la química orgánica», Acto de Homenaje a Francisco Fariña, Universidad Autónoma de Madrid, 13 de diciembre (1994)

3015 J. Elguero, «La química y su entorno», Libros de España , Biblioteca Nacional, Buenos Aires, 110-114 (1995)

3016 J. Elguero, «El paper de la química en el segle XXI», Reptes de la ciència a les portes del segle XXI , Barcelona, 19-24 (1995)

3017 J. Elguero, Comentarios sobre la obra científica de Félix Serratosa, Barcelona, 15 de Enero (1996)

3018 J. Elguero, Premio Galeno 1996. Real Academia Nacional de Medicina . 7 de noviembre (1996)

3019 J. Elguero, Editorial «On journals, publicaciones and other topics» Química Analítica, 16 232-233 (1997)

3020 I. Hargittai, Spanish Science: A Conversation with José Elguero. The Chemical Intelligencer , 3 61-64 (1997)

3021 J. Elguero Pregón Leído en la Fiesta Mayor de Gandesa, Septiembre (1997)

3022 J. Elguero, «Un siglo de Química en España» Un siglo de ciencia en España , Residencia de Estudiantes, 61-67 (1998)

110 3023 J. Elguero, «Discurso de investidura de Doctor "Honoris Causa"», Universidad Autónoma de Madrid, 193-297 (1999)

3024 R. M. Claramunt, J. Elguero, «Problemas metodológicos de la enseñanza de las ciencias», 100cias@uned , Madrid, 2 87-90 (1999)

3025 J. Elguero, Fundación Jovellanos, II JORNADAS "REFLEXIONES SOBRE ESPAÑA: ESPAÑA EN EUROPA", Perspectivas científicas y tecnológicas, 25 de noviembre de 1999: Círculo de Bellas Artes, Madrid. Publicado por la Fundación en el 2000. (1999)

3026 J. Elguero, «Discurso de investidura de Doctor "Honoris Causa"», Universidad de Castilla-La Mancha, (1999)

3027 J. Elguero, «Discurso de investidura de Doctor "Honoris Causa"», Universidad de Alcalá, (2000)

3028 J. Elguero, «El mundo de la química», La ciencia al alcance de la mano . Ciencia para todos (Ed. Pedro García Barreno). Editorial Espasa-Calpe, (2000)

3029 J. Elguero, «Chemistry in Russia and in Spain: A personal recollection», Discurso de investidura de Doctor "Honoris Causa", Universidad Técnica de San Petersburgo, (2000)

3030 J. Elguero, «Quin futur ens espera als quimics». Rev. Soc. Catal. Quím ., 10-20 (2001)

3031 J. Elguero, «Discurso de investidura de Doctor "Honoris Causa"», Universidad de Zaragoza (2001)

3032 J. Elguero, «Discurso de investidura de Doctor "Honoris Causa"», Universidad de Aix-Marseille III (2002)

3033 J. Elguero, Acto de Homenaje a Don Manuel Lora-Tamayo, Fundador y Presidente de Honor del Centro de Química Orgánica que lleva su Nombre, febrero, (2003)

3034 J. Elguero, «La química en Madrid durante el siglo XX» Ayuntamiento de Madrid, (2003)

3035 J. Elguero, «Lo crudo y lo cocido: Reflexiones de un químico sobre su profesión», Anales de Química , 2003, 99 , 5-13. 5-13 99 (2003)

3036 J. Elguero, «La química española: 1981-2003», Anales de Química , 11-17 99 (2003)

3037 J. Elguero, «La química del siglo XXI». Ibérica (Actualidad Tecnológica) , 142-146. 472 (2004)

3038 J. Elguero, «Metodología de la investigación: los ejemplos de Cajal y de Freud», Discurso de ingreso en la Real Academia de Ciencias Exactas, Físicas y Naturales, Madrid, 24 de mayo, (2004)

111 3039 J. Elguero, «Por una química blanda : una visión probabilística de la química.» Anales de Química , 24-24 100 (2004)

3040 J. Elguero, «A propósito de las introducciones en las publicaciones de química», Anales de Química , 31-31 101 (2005)

3041 J. Elguero, «Discurso inaugural de la presentación del PRINCET». Idea de la Mancha, Revista de Educación de Castilla-La Mancha , 13-28, I (2005)

3042 J. Elguero, «La Química del Porvenir: ¿Habrá química en el siglo XXII?». Instituto de España: Anticipaciones Académicas ,149-168, II (2005)

3043 J. Elguero, "Science Citation Index": Un estudio de caso. Anales de Química , 18-24 102 (2006)

3044 J. Elguero, «Discurso del Premio Miguel Catalán» Anales de Química , 67-68 102 (2006)

3045 J. Elguero, «La química española: 2005-2020» ARBOR 153-166 718 , (2006)

3046 J. Elguero, «Discurso en el CSIC con ocasión de la medalla de plata del CSIC» Web del CSIC , (2006)

3047 J. Elguero, «La actitud de los científicos ante los proyectos de investigación», CIC Network, 67-70 0 (2006)

3048 J. Elguero, «Investigación, ciencia y el mecanismo de Grotthus», Rev. Acad. Canaria Ciencias, 169-192 18 (2006)

3049 J. Elguero, «Los premios Nobel entre 1996 y 2006» Anales Real Sociedad Española Química, 64-66 103 (2007)

3050 J. Elguero, «España y los elementos de la tabla periódica» Anales Real Sociedad Española Química, 70-76 103 (2007)

3051 J. Elguero, «En poco tiempo aprendí mucho» JAE CSIC 100 años, (2007)

3052 J. Elguero, «Las ciencias químicas: el wolframio y el eritronio en la ciencia en la españa ilustrada» Instituto de España, (2007)

3053 M. A. Monge, P. Goya, J. Elguero, «The Chemistry of the 21st Century–State of the Art», Chem. Int., 24-66 20 (2008)

3054 J. Elguero, «No quiero que a los químicos nos manden al siglo XIX.», CIC Network, 7-13 4 (2008)

3055 J. Elguero, Premio de La Fundación Lilly a toda una carrera investigadora, San Lorenzo de El Escorial, (2008)

3056 J. Elguero, «Antonio Madinaveitia, Roald Hoffmann y Juan Julio Bonet», Institut de Estudis Catalans, 24 de octubre (2008)

3057 J. Elguero, «El premio bilateral hispano-luso de la RSEQ llevará el nombre de Madinaveitia», Anales Real Sociedad Española Química, 67-69 105 (2009)

3058 J. Elguero, «Física y Química en la Colina de los Chopos», CSIC, 115-125 (2009)

3059 J. Elguero, «Conde de Cartagena: La herencia y el legado del Excmo. Sr. D. Aníbal Morillo y Pérez, Conde de Cartagena»,

112 Página web de la RAECEFN, Febrero (2009)

3060 J. Elguero, Discurso de ingreso como Académico de Honor Real Academia Nacional de Farmacia, Madrid, 19 de febrero (2009)

3061 J. Elguero, «Concepció Roca entrevista a José Elguero presidente del Foro "El siglo XXI será el de los grandes avances en química"», Química e Industria , 12-15 582 (2009)

3062 J. Elguero, «Ciencia y Tecnología: Química orgánica» “Enciclopedia de la España del siglo XXI” Editorial Biblioteca Nueva. IV (2009)

3063 J. Elguero, «Discurso de investidura de Doctor "Honoris Causa"» Universidad de Oviedo (2009)

3064 J. Elguero, Autobiografía, para un proyecto de autobiografía de la química española, Real Sociedad Española Química, (2009)

3071 J. Elguero, «La universidad: muchos problemas y alguna solución» "La Universidad de Oviedo en su Cuarto Centenario", (2009)

3072 J. Elguero, «Algunas reflexiones alrededor de nuestra química» conCIENCIAS (Universidad de Zaragoza) 31-39 (2009)

3073 «Entrevista a José Elguero por Juan Jesús Aznar» Diari Empordà, 28 de Juny (2011)

3074 J. Elguero, «83. Puedes permitirte algún venial desliz» Escuela de Organización Industrial (EOI) (2011)

3075 A. Sánchez Álvarez-Insúa, J. Elguero, «Prefacio» ARBOR 187 (2011)

Documentos electrónicos

http://www.iqm.csic.es/are/main.htm

4001 RELACIONES LINEALES DE ENERGIA LIBRE Y METODOLOGIA DE LA INVESTIGACION José Elguero, Ibon Alkorta, Carmen Pardo, Rosa M. Claramunt, Dionisia Sanz y Pilar Cabildo

4002 AROMATICIDAD Y HETEROAROMATICIDAD José Elguero, Ibon Alkorta, Carmen Pardo, Rosa M. Claramunt, Pilar Cornago y Concepción López

4003 RESONANCIA MAGNETICA NUCLEAR DE PROTÓN: APLICACIONES EN QUÍMICA ORGÁNICA Parte1, Parte2, Parte3 y Parte 4 José Elguero, Ibon Alkorta, Carmen Pardo, Rosa M. Claramunt, y María Dolores Santa María

113