PAH Charge State Distribution and DIB Carriers: Implications from the Line of Sight Toward HD 147889 ,
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Matrix-Isolation FTIR Study of Azidoacetone and Azidoacetonitrile M
LOW TEMPERATURE PHYSICS VOLUME 29, NUMBER 9–10 SEPTEMBER–OCTOBER 2003 Matrix-isolation FTIR study of azidoacetone and azidoacetonitrile M. Frankowski,* B. S. Fox, A. M. Smith-Gicklhorn, M. K. Beyer, and V. E. Bondybey** Institute of Physical and Theoretical Chemistry, Technical University of Munich, Garching 85747, Germany M. Algarra and M. L. Costa CEFITEC, Department of Physics, Fac. Sciences and Technology, Universidade Nova de Lisboa, Caparica P-2829-516, Portugal P. Rodrigues and M. T. Barros CQFB, Department of Chemistry, Fac. Sciences and Technology, Universidade Nova de Lisboa, Caparica P-2829-516, Portugal M. N. D. S. Cordeiro REQUIMTE, Department of Chemistry, Fac. Sciences, Universidade do Porto, Porto 4169-007, Portugal Fiz. Nizk. Temp. 29, 1140–1146 ͑September–October 2003͒ Azidoacetonitrile (N3CH2CN) and azidoacetone (N3CH2COCH3) are studied by matrix-isolation FTIR spectroscopy in solid neon, argon, and nitrogen. The IR spectra calculated using the density-fuctional theoretical method are discussed in comparison with the experimental data. Significant broadening of the recorded azide bands indicate an awkward fit of these compounds into the solid environment. The strongest absorption is observed for both compounds in the regions of asymmetric and symmetric stretches of the N3 azide group. Strong band splittings in the N3 asymmetric stretch region can be most likely explained by very strong Fermi resonances with the CN stretch and combinations and overtones of the numerous lower- frequency vibrational modes. © 2003 American Institute of Physics. ͓DOI: 10.1063/1.1619361͔ INTRODUCTION EXPERIMENTAL Sample preparation Organic azides are useful reagents in many fields.1–3 Their strongly exothermic reactions make them useful as Azidoacetonitrile was synthesized from chloroacetoni- 4 propellants. -
A Three-Step Sequence Strategy for Facile Construction of Donor-Acceptor Type Molecules: Triphenylamine- Substituted Acenes
Canadian Journal of Chemistry A Three-step Sequence Strategy for Facile Construction of Donor-Acceptor Type Molecules: Triphenylamine- Substituted Acenes Journal: Canadian Journal of Chemistry Manuscript ID cjc-2019-0254.R1 Manuscript Type: Article Date Submitted by the 21-Sep-2019 Author: Complete List of Authors: Zhang, Chen; Wuhan University of Technology, chemical Engineering and Life Sciences Tang, Ming; Wuhan University of Technology, chemical Engineering and Life SciencesDraft Sun, Bing; Wuhan University of Technology, chemical Engineering and Life Sciences Wang, Weizhou; Wuhan University of Technology, chemical Engineering and Life Sciences Yi, Ying; Wuhan University of Technology, chemical Engineering and Life Sciences Zhang, Fang-Lin; Wuhan University of Technology, chemical Engineering and Life Sciences Is the invited manuscript for consideration in a Special Not applicable (regular submission) Issue?: Keyword: triphenylamine, anthracene, C–H activation, fluorescence https://mc06.manuscriptcentral.com/cjc-pubs Page 1 of 14 Canadian Journal of Chemistry 1 A Three-step Sequence Strategy for Facile Construction of Donor-Acceptor Type Molecules: Triphenylamine-Substituted Acenes Chen Zhang, Ming Tang, Bing Sun, Weizhou Wang, Ying Yi and Fang-Lin Zhang Chen Zhang, Ming Tang, Bing Sun, Ying Yi and Fang-Lin Zhang. chemical Engineering and Life Sciences, Wuhan University of Technology, Wuhan 430070, Hubei, PR China. Weizhou Wang. College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, -
Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Hydrocarbon Ions
J. Phys. Chem. A 2000, 104, 3655-3669 3655 Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Hydrocarbon Ions. 5. PAHs Incorporating a Cyclopentadienyl Ring† D. M. Hudgins,* C. W. Bauschlicher, Jr., and L. J. Allamandola NASA Ames Research Center, MS 245-6, Moffett Field, California 94035 J. C. Fetzer CheVron Research Company, Richmond, California 94802 ReceiVed: NoVember 5, 1999; In Final Form: February 9, 2000 The matrix-isolation technique has been employed to measure the mid-infrared spectra of the ions of several polycyclic aromatic hydrocarbons whose structures incorporate a cyclopentadienyl ring. These include the cations of fluoranthene (C16H10), benzo[a]fluoranthene, benzo[b]fluoranthene, benzo[j]fluoranthene, and benzo- [k]fluoranthene (all C20H12 isomers), as well as the anions of benzo[a]fluoranthene and benzo[j]fluoranthene. With the exception of fluoranthene, which presented significant theoretical difficulties, the experimental data are compared to theoretically calculated values obtained using density functional theory (DFT) at the B3LYP/ 4-31G level. In general, there is good overall agreement between the two data sets, with the positional agreement between the experimentally measured and theoretically predicted bands somewhat better than that associated with their intensities. The results are also consistent with previous experimental studies of polycyclic aromatic hydrocarbon ions. Specifically, in both the cationic and anionic species the strongest ion bands typically cluster in the 1450 to 1300 cm-1 range, reflecting an order-of-magnitude enhancement in the CC stretching and CH in-plane bending modes between 1600 and 1100 cm-1 in these species. The aromatic CH out-of- plane bending modes, on the other hand, are usually modestly suppressed (e 2x - 5x) in the cations relative to those of the neutral species, with the nonadjacent CH modes most strongly affected. -
Polycyclic Aromatic Hydrocarbon Structure Index
NIST Special Publication 922 Polycyclic Aromatic Hydrocarbon Structure Index Lane C. Sander and Stephen A. Wise Chemical Science and Technology Laboratory National Institute of Standards and Technology Gaithersburg, MD 20899-0001 December 1997 revised August 2020 U.S. Department of Commerce William M. Daley, Secretary Technology Administration Gary R. Bachula, Acting Under Secretary for Technology National Institute of Standards and Technology Raymond G. Kammer, Director Polycyclic Aromatic Hydrocarbon Structure Index Lane C. Sander and Stephen A. Wise Chemical Science and Technology Laboratory National Institute of Standards and Technology Gaithersburg, MD 20899 This tabulation is presented as an aid in the identification of the chemical structures of polycyclic aromatic hydrocarbons (PAHs). The Structure Index consists of two parts: (1) a cross index of named PAHs listed in alphabetical order, and (2) chemical structures including ring numbering, name(s), Chemical Abstract Service (CAS) Registry numbers, chemical formulas, molecular weights, and length-to-breadth ratios (L/B) and shape descriptors of PAHs listed in order of increasing molecular weight. Where possible, synonyms (including those employing alternate and/or obsolete naming conventions) have been included. Synonyms used in the Structure Index were compiled from a variety of sources including “Polynuclear Aromatic Hydrocarbons Nomenclature Guide,” by Loening, et al. [1], “Analytical Chemistry of Polycyclic Aromatic Compounds,” by Lee et al. [2], “Calculated Molecular Properties of Polycyclic Aromatic Hydrocarbons,” by Hites and Simonsick [3], “Handbook of Polycyclic Hydrocarbons,” by J. R. Dias [4], “The Ring Index,” by Patterson and Capell [5], “CAS 12th Collective Index,” [6] and “Aldrich Structure Index” [7]. In this publication the IUPAC preferred name is shown in large or bold type. -
Hexaazatriphenylene (HAT) Derivatives. from Synthesis to Molecular Design, Self-Organization and Device Applications
Chemical Society Reviews Hexaazatriphenylene (HAT) derivatives. From synthesis to molecular design, self-organization and device applications Journal: Chemical Society Reviews Manuscript ID: CS-SYN-02-2015-000181.R2 Article Type: Review Article Date Submitted by the Author: 25-Jun-2015 Complete List of Authors: Segura, Jose; Universidad Complutense, Quimica Organica I Juárez, Rafael; Universidad Rey Juan Carlos, Department of Environmental and Technological Chemistry Ramos, María del Mar; Universidad Rey Juan Carlos, Department of Environmental and Technological Chemistry Seoane, Carlos; Universidad Complutense, Quimica Organica I Page 1 of 34Journal Name Chemical Society Reviews Dynamic Article Links ► Cite this: DOI: 10.1039/c0xx00000x www.rsc.org/xxxxxx ARTICLE TYPE Hexaazatriphenylene (HAT) derivatives. From synthesis to molecular design, self-organization and device applications Jose Luis Segura, a* Rafael Juarez, a,b Mar Ramos b and Carlos Seoane a 5 Received (in XXX, XXX) Xth XXXXXXXXX 20XX, Accepted Xth XXXXXXXXX 20XX DOI: 10.1039/b000000x Dipyrazino[2,3-f:2',3'-h]quinoxaline also known as 1,4,5,8,9,12-hexaazatriphenylene ( HAT ) is an electron deficient, rigid, planar, aromatic discotic system with an excellent π-π stacking ability. Because it is one of the smallest two-dimensional N-containing polyheterocyclic aromatic systems, it has been used as the basic scaffold for larger 2D N-substituted polyheterocyclic aromatics. 10 Furthermore, it is the building block of choice in a plethora of molecular, macromolecular and supramolecular systems for a variety of applications. This review is aimed to critically review the research performed during the almost three decades of research based on HAT from the synthetic, theoretical and applications point of view. -
WO 2016/074683 Al 19 May 2016 (19.05.2016) W P O P C T
(12) INTERNATIONAL APPLICATION PUBLISHED UNDER THE PATENT COOPERATION TREATY (PCT) (19) World Intellectual Property Organization International Bureau (10) International Publication Number (43) International Publication Date WO 2016/074683 Al 19 May 2016 (19.05.2016) W P O P C T (51) International Patent Classification: (81) Designated States (unless otherwise indicated, for every C12N 15/10 (2006.01) kind of national protection available): AE, AG, AL, AM, AO, AT, AU, AZ, BA, BB, BG, BH, BN, BR, BW, BY, (21) International Application Number: BZ, CA, CH, CL, CN, CO, CR, CU, CZ, DE, DK, DM, PCT/DK20 15/050343 DO, DZ, EC, EE, EG, ES, FI, GB, GD, GE, GH, GM, GT, (22) International Filing Date: HN, HR, HU, ID, IL, IN, IR, IS, JP, KE, KG, KN, KP, KR, 11 November 2015 ( 11. 1 1.2015) KZ, LA, LC, LK, LR, LS, LU, LY, MA, MD, ME, MG, MK, MN, MW, MX, MY, MZ, NA, NG, NI, NO, NZ, OM, (25) Filing Language: English PA, PE, PG, PH, PL, PT, QA, RO, RS, RU, RW, SA, SC, (26) Publication Language: English SD, SE, SG, SK, SL, SM, ST, SV, SY, TH, TJ, TM, TN, TR, TT, TZ, UA, UG, US, UZ, VC, VN, ZA, ZM, ZW. (30) Priority Data: PA 2014 00655 11 November 2014 ( 11. 1 1.2014) DK (84) Designated States (unless otherwise indicated, for every 62/077,933 11 November 2014 ( 11. 11.2014) US kind of regional protection available): ARIPO (BW, GH, 62/202,3 18 7 August 2015 (07.08.2015) US GM, KE, LR, LS, MW, MZ, NA, RW, SD, SL, ST, SZ, TZ, UG, ZM, ZW), Eurasian (AM, AZ, BY, KG, KZ, RU, (71) Applicant: LUNDORF PEDERSEN MATERIALS APS TJ, TM), European (AL, AT, BE, BG, CH, CY, CZ, DE, [DK/DK]; Nordvej 16 B, Himmelev, DK-4000 Roskilde DK, EE, ES, FI, FR, GB, GR, HR, HU, IE, IS, IT, LT, LU, (DK). -
IUPAC Provisional Recommendations
Preferred IUPAC Names 73 Chapter 2, Sect 25 September, 2004 P-25 Fused and bridged fused systems P-25.0 Introduction P-25.1 Names of hydrocarbon components P-25.2 Names of heterocyclic components P-25.3 Constructing fusion names P-25.4 Bridged fused systems P-25.5 Limitations to fusion nomenclature: three components ortho- and peri- fused together P-25.6 Heteroatoms in nonstandard valence states P-25.7 Treatment of double bonds and δ-convention P-25.8 List of fusion components in decreasing order of seniority P-25.0 Introduction This section is based on the document entitled ‘Nomenclature of Fused and Bridged Fused Ring System, IUPAC Recommendations 1998’ (ref. 4). In nomenclature, fusion is the operation that creates a common bond between two rings, each ring contributing one bond and the two atoms directly attached to the bond. This type of fusion is called ortho- or ortho- and peri-fusion if two adjacent bonds are involved. The term fusion is also used todesc ribe the operation creating a common atom between two ring systems, each contributing one atom. This type of fusion is called spirofusion (see P-24.1). Traditionally, ortho- and ortho- and peri-fusion were simply called fusion and the resulting polycyclic systems were referred to as fused ring systems or fused ring compounds. The term 'spirofusion' is new in nomenclature, and to avoid ambiguity 'fusion' should not be used without the prefix 'spiro' when 'spirofusion' is intended." CH HC C + CH HC C benzene (PIN) benzene (PIN) naphthalene (PIN) [naphthalene results from the fusion -
A MATRIX ISOLATION SPECTROSCOPIC INVESTIGATION of the REACTION PRODUCTS of TRANSITION METAL CENTRES with ETHENE and WATER By
A MATRIX ISOLATION SPECTROSCOPIC INVESTIGATION OF THE REACTION PRODUCTS OF TRANSITION METAL CENTRES WITH ETHENE AND WATER by MATTHEW G. K. THOMPSON A thesis submitted to the Department of Chemistry in conformity with the requirements for the degree of Doctor of Philosophy Queen’s University Kingston, Ontario, Canada November 2007 Copyright © Matthew Gary Karl Thompson, 2007 Abstract The reaction products of thermally generated atomic V with ethene and ethene isotopomers have been investigated by matrix isolation ultraviolet visible and Fourier transform infrared (FTIR) spectroscopy. When V is deposited into matrices of pure Ar, evidence for V and V2 are present in the UV-visible absorption spectra. Addition of trace amounts of ethene results in the elimination of absorptions due to V2 on deposition, likely due to the formation of … V (C2H4) van der Waals complexes on matrix condensation. Irradiation of matrices containing V and trace C2H4 in Ar, with light corresponding to atomic V electronic excitations, eliminates all UV-visible absorptions due to atomic V in the matrix. Infrared analysis of matrices containing V and C2H4 give evidence for a new product on deposition, consistent with a kinetically formed H-V-C2H3 isomer. Following further irradiation of the matrix, several new products of C-H bond insertion by the metal atom, including additional H-V-C2H3 conformational 2 isomers, and H2V(η -C2H2) products are observed in the infrared spectrum. Additionally, the formation of ethane is evident as a major product immediately following deposition of V + C2H4 + H2O in Ar. The formation of this product is consistent with alkene insertion into the V-H bond of an H-V-OH intermediate, followed by a photo-induced elimination to give C2H6. -
Polycyclic Organic Compounds, Polarizing
(19) TZZ ZZ¥_T (11) EP 2 260 035 B1 (12) EUROPEAN PATENT SPECIFICATION (45) Date of publication and mention (51) Int Cl.: of the grant of the patent: C07D 471/04 (2006.01) C07D 487/04 (2006.01) 20.08.2014 Bulletin 2014/34 C07D 487/22 (2006.01) C07D 495/16 (2006.01) C07C 15/38 (2006.01) (21) Application number: 09717753.9 (86) International application number: (22) Date of filing: 04.03.2009 PCT/GB2009/050218 (87) International publication number: WO 2009/109781 (11.09.2009 Gazette 2009/37) (54) POLYCYCLIC ORGANIC COMPOUNDS, POLARIZING ELEMENTS AND METHOD OF PRODUCTION THEREOF POLYCYCLISCHE ORGANISCHE VERBINDUNGEN, POLARISIERUNGSELEMENTE UND VERFAHREN ZU DEREN HERSTELLUNG COMPOSÉS ORGANIQUES POLYCYCLIQUES, ÉLÉMENTS POLARISANTS ET LEUR PROCÉDÉ DE FABRICATION (84) Designated Contracting States: • DATABASE CAPLUS [Online] CHEMICAL AT BE BG CH CY CZ DE DK EE ES FI FR GB GR ABSTRACTS SERVICE, COLUMBUS, OHIO, US; HR HU IE IS IT LI LT LU LV MC MK MT NL NO PL 7 October 2007 (2007-10-07), XP002543542 PT RO SE SI SK TR retrieved from STN Database accession no. 2007: 1167020 & VAKULIN, I. V. ET AL.: "Quantum- (30) Priority: 04.03.2008 GB 0804082 chemical study of formation of complexes of aromatic Schiff bases with transition metals (43) Date of publication of application: using the UB3LYP/3-21G(d) approximation" 15.12.2010 Bulletin 2010/50 BASHKIRSKII KHIMICHESKII ZHURNAL, vol. 14, no. 1, 2007, pages 124-128, Bashkir State (73) Proprietor: CRYSOPTIX K.K. University, Ufa; RU ISSN: 0869-8406 Tokyo (JP) • LIANG, B. ET AL.: "HIGH-EFFICIENCY RED PHOSPHORESCENT IRIDIUM DENDRIMERS (72) Inventors: WITH CHARGE-TRANSPORTING DENDRONS: • NOKEL, Alexey SYNTHESIS AND ELECTROLUMINESCENT Moscow 119619 (RU) PROPERTIES" ADVANCED FUNCTIONAL • LAZAREV, Pavel I. -
Matrix Isolation and Computational Study of Isodifluorodibromomethane (F2 Cbr-Br): a Route to Br2 Formation in Cf2 Br2 Photolysis
Bowling Green State University ScholarWorks@BGSU Chemistry Faculty Publications Chemistry 2010 Matrix Isolation and Computational Study of Isodifluorodibromomethane (F2 Cbr-Br): A Route to Br2 Formation in Cf2 Br2 Photolysis Alexander N. Tarnovsky Bowling Green State University, [email protected] Lisa George Aimable Kalume Patrick Z. El-Khoury Scott A. Reid Follow this and additional works at: https://scholarworks.bgsu.edu/chem_pub Part of the Chemistry Commons Repository Citation Tarnovsky, Alexander N.; George, Lisa; Kalume, Aimable; El-Khoury, Patrick Z.; and Reid, Scott A., "Matrix Isolation and Computational Study of Isodifluorodibromomethane (F2 Cbr-Br): A Route to Br2 Formation in Cf2 Br2 Photolysis" (2010). Chemistry Faculty Publications. 26. https://scholarworks.bgsu.edu/chem_pub/26 This Article is brought to you for free and open access by the Chemistry at ScholarWorks@BGSU. It has been accepted for inclusion in Chemistry Faculty Publications by an authorized administrator of ScholarWorks@BGSU. THE JOURNAL OF CHEMICAL PHYSICS 132, 084503 ͑2010͒ Matrix isolation and computational study of isodifluorodibromomethane „F2CBr–Br…: A route to Br2 formation in CF2Br2 photolysis Lisa George,1 Aimable Kalume,1 Patrick Z. El-Khoury,2 Alexander Tarnovsky,2 and ͒ Scott A. Reid1,a 1Department of Chemistry, Marquette University, Milwaukee, Wisconsin 53201-1881, USA 2Department of Chemistry and Center for Photochemical Sciences, Bowling Green State University, Bowling Green, Ohio 43403, USA ͑Received 29 November 2009; accepted 26 January 2010; published online 22 February 2010͒ ͑ ͒ The photolysis products of dibromodifluoromethane CF2Br2 were characterized by matrix isolation infrared and UV/Visible spectroscopy, supported by ab initio calculations. Photolysis at ͑ϳ ͒ ϳ wavelengths of 240 and 266 nm of CF2Br2 :Ar samples 1:5000 held at 5 K yielded ͑ ͒ iso-CF2Br2 F2CBrBr , a weakly bound isomer of CF2Br2, which is characterized here for the first time. -
IUPAC Nomenclature of Fused and Bridged Fused Ring Systems
Pure &App/. Chern., Vol. 70, No. 1, pp. 143-216, 1998. Printed in Great Britain. Q 1998 IUPAC INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY ORGANIC CHEMISTRY DIVISION COMMISSION ON NOMENCLATURE OF ORGANIC CHEMISTRY (111.1) NOMENCLATURE OF FUSED AND BRIDGED FUSED RING SYSTEMS (IUPAC Recommendations 1998) Prepared for publication by G. P. MOSS Department of Chemistry, Queen Mary and Westfield College, Mile End Road, London, El 4NS, UK Membership of the Working Party (1982-1997): A. T. Balaban (Romania), A. J. Boulton (UK), P. M. Giles, Jr. (USA), E. W. Godly (UK), H. Gutmann (Switzerland), A. K. Ikizler (Turkey), M. V. Kisakiirek (Switzerland), S. P. Klesney (USA), N. Lozac’h (France), A. D. McNaught (UK), G. P. Moss (UK), J. Nyitrai (Hungary), W. H. Powell (USA), Ch. Schmitz (France), 0. Weissbach (Federal Republic of Germany) Membership of the Commission on Nomenclature of Organic Chemistry during the preparation of this document was as follows: Titular Members: 0. Achmatowicz (Poland) 1979-1987; J. Blackwood (USA) 1996; H. J. T. Bos (Netherlands) 1987-1995, Vice-chairman, 1991- ; J. R. Bull (Republic of South Africa) 1987-1993; F. Cozzi (Italy) 1996- ; H. A. Favre (Canada) 1989-, Chairman, 1991- ; P. M. Giles, Jr. (USA) 1989-1995; E. W. Godly (UK) 1987-1993, Secretary, 1989-1993; D. Hellwinkel (Federal Republic of Germany) 1979-1987, Vice-Chainnan, 1981-1987; B. J. Herold (Portugal) 1994- ; K. Hirayama (Japan) 1975-1983; M. V. Kisakiirek (Switzerland) 1994, Vice-chairman, 1996- ; A. D. McNaught (UK) 1979-1987; G. P. Moss (UK) 1977-1987, Chairman, 1981-1987, Vice-chairman, 1979-1981; R. -
Arghya Chakraborty
Electronic Characterization of Mass-Selected Acyclic, Polycyclic and Oxygenated Hydrocarbons in Neon Matrices INAUGURALDISSERTATION zur Erlangung der Würde eines Doktors der Philosophie vorgelegt der Philosophisch-Naturwissenschaftlichen Fakultät der Universität Basel von Arghya Chakraborty aus Westbengal, Indien Basel, 2016 Originaldokument gespeichert auf dem Dokumentenserver der Universität Basel edoc.unibas.ch 1 Genehmigt von der Philosophisch-Naturwissenschaftlichen Fakultät auf antrag von Dissertationsleiter: Prof. Dr. John. P. Maier Korreferent: Prof. Dr. Stefan Willitsch Basel, 23 Februar 2016 Prof. Dr. J. Schibler Dekan 2 Electronic Characterization of Mass-Selected Acyclic, Polycyclic and Oxygenated Hydrocarbons in Neon Matrices PhD THESIS Of ARGHYA CHAKRABORTY Basel 2016 3 4 Acknowledgements A researcher needs a healthy working atmosphere to be productive. The work and personal life in Basel would not have been so pleasant without the guidance and support of several individuals. First of all, I would like to thank Prof. John Paul Maier for his constant endorsement, supervision and providing world class experimental facilities in laboratory. Beside science, I have learned lots of technical skills from him and hopefully will apply them in my entire career. I am very much thankful to Prof. Stefan Willitsch for being the co-referee of my thesis. Prof. Markus Meuwly is thanked for accepting to be the chair in my PhD defense. Heartiest thank of mine goes to Dr. Jan Fulara for teaching me the essentials of the matrix isolation set-up, sharing his deep knowledge on spectroscopy and helping with his computational skill. Special thanks are also addressed to Dr. Corey Rice for his advices, explanations and experimental ideas. I am highly privileged to him for being the proof reader of my thesis.