DOCSLIB.ORG

NBO 2015 – 2008 References Compiled by Ariel Andrea on 8/31/2018

Total Page：16

File Type：pdf, Size：1020Kb

Download full-text PDF Read full-text
NBO 2015 – 2008 References Compiled by Ariel Andrea on 8/31/2018 NBO 2015 – 2008 references Compiled by Ariel Andrea on 8/31/2018 Abbat, S.; Dhaked, D.; Arfeen, M.; Bharatam, P. V. Mechanism of the Paal-Knorr reaction: the importance of water mediated hemialcohol pathway RSC Advances, (5): 88353-88366. 2015. 10.1039/c5ra16246g Abdel-Azeim, S.; Jedidi, A.; Eppinger, J.; Cavallo, L. Mechanistic insights into the reductive dehydroxylation pathway for the biosynthesis of isoprenoids promoted by the IspH enzyme Chemical Science, (6): 5643-5651. 2015. 10.1039/c5sc01693b Abdel-Ghani, N. T.; Mansour, A. M.; El-Ghar, M. F. A.; El-Borady, O. M.; Shorafa, H. Co(II), Ni(II) and Cu(II) complexes of azo-aminopyrazole ligand: Spectroscopic, crystal structure and quantum chemical calculations Inorganica Chimica Acta, (435): 187-193. 2015. 10.1016/j.ica.2015.06.021 Abdulsattar, M. A. Molecular approach to hexagonal and cubic diamond nanocrystals Carbon Letters, (16): 192-197. 2015. 10.5714/cl.2015.16.3.192 Abdulsattar, M. A.; Almaroof, S. M. Electronic and spectroscopic properties of GeC superlattice nanocrystals: A first-principle study using diamondoid structures Superlattices and Microstructures, (79): 63-71. 2015. 10.1016/j.spmi.2014.12.011 Abedini, M.; Izadyar, M.; Nakhaipour, A. Different Aspects of Single Wall Carbon Nanotube Functionalization by Aniline Adsorption; Quantum Mechanics/Molecular Mechanics Study Journal of Nano Research, (32): 1-U21. 2015. 10.4028/www.scientific.net/JNanoR.32.1 Abyar, F.; Farrokhpour, H.; Tabrizchi, M. Gas phase ionization energies of some important unsaturated steroids Structural Chemistry, (26): 71-86. 2015. 10.1007/s11224-014-0469-4 Adhikari, D. A computational study to unravel the selectivity in an iron-catalysed 3+2 cycloaddition of aziridine and heterocumulenes RSC Advances, (5): 95379-95384. 2015. 10.1039/c5ra19407e Adhikary, J.; Datta, A.; Dasgupta, S.; Chakraborty, A.; Menendez, M. I.; Chattopadhyay, T. Development of an efficient magnetically separable nanocatalyst: theoretical approach on the role of the ligand backbone on epoxidation capability RSC Advances, (5): 92634-92647. 2015. 10.1039/c5ra17484h Adrover, M.; Howes, B. D.; Iannuzzi, C.; Smulevich, G.; Pastore, A. Anatomy of an iron-sulfur cluster scaffold protein: Understanding the determinants of 2Fe-2S cluster stability on IscU Biochimica Et Biophysica Acta-Molecular Cell Research, (1853): 1448-1456. 2015. 10.1016/j.bbamcr.2014.10.023 Afaneh, A. T.; Schreckenbach, G. Fluorescence Enhancement/Quenching Based on Metal Orbital Control: Computational Studies of a 6-Thienyllumazine- Based Mercury Sensor Journal of Physical Chemistry A, (119): 8106-8116. 2015. 10.1021/acs.jpca.5b04691 Aggarwal, K.; Khurana, J. M. X-ray diffraction, spectroscopic characterization and quantum chemical calculations by DFT and HF of novel 2-hydroxy- 12-(4-hydroxypheny1)-9, 9-dimethyl-9,10-dihydro-8H-benzo a xanthen-11(12H)-one Journal of Molecular Structure, (1079): 21-34. 2015. 10.1016/j.molstruc.2014.09.020 Ahmadi, A. A.; Fattahi, A. Influence of a beta-OH substituent on S(N)2 reactions of fluoroethane: Intramolecular hydrogen bonding catalysis or inhibition? A theoretical study Computational and Theoretical Chemistry, (1067): 71-83. 2015. 10.1016/j.comptc.2015.05.021 Ahmadinejad, N.; Tahan, A. The comparison of NMR tensors and NQR frequencies of hallucinogenic Harmine compound in the gas phase Russian Journal of Physical Chemistry B, (9): 19-21. 2015. 10.1134/s1990793115010029 Akbari, A.; Golzadeh, B.; Arshadi, S.; Kassaee, M. Z. A quest for stable 2,5-bis(halobora)cyclopentenylidene and its Si, Ge, Sn and Pb analogs at theoretical levels RSC Advances, (5): 43319-43327. 2015. 10.1039/c5ra04911c Akher, F. B.; Ebrahimi, A. pi-Stacking effects on the hydrogen bonding capacity of methyl 2-naphthoate Journal of Molecular Graphics & Modelling, (61): 115-122. 2015. 10.1016/j.jmgm.2015.06.013 Akhtari, K.; Hassanzadeh, K.; Fakhraei, B.; Fakhraei, N.; Hassanzadeh, H.; Akhtari, G.; Zarei, S. A.; Hassanzadeh, K. Mechanisms of the hydroxyl and superoxide anion radical scavenging activity and protective effect on lipid peroxidation of thymoquinone: a DFT study Monatshefte fur Chemie, (146): 601-611. 2015. 10.1007/s00706-014-1341-3 Akilandeswari, L.; Prathipa, C. Competitive and Cooperative Torquoselectivity in the thermal ring opening of cyclobutene: A density functional insight Journal of Chemical Sciences, (127): 1505-1511. 2015. 10.1007/s12039-015-0936-5 Aksakal, F.; Shvets, N.; Dimoglo, A. The study of dual COX-2/5-LOX inhibitors by using electronic-topological approach based on data on the ligand- receptor interactions Journal of Molecular Graphics & Modelling, (60): 79-88. 2015. 10.1016/j.jmgm.2015.06.006 Alabugin, I. V.; Bresch, S.; Gomes, G. D. Orbital hybridization: a key electronic factor in control of structure and reactivity Journal of Physical Organic Chemistry, (28): 147-162. 2015. 10.1002/poc.3382 Alagona, G.; Ghio, C. Rhodium-Catalyzed Hydroformylation of Ketal-Masked beta-Isophorone: Computational Explanation for the Unexpected Reaction Evolution of the Tertiary Rh-Alkyl via an Exocyclic beta-Elimination Derivative Journal of Physical Chemistry A, (119): 5117-5133. 2015. 10.1021/jp508294z Alam, M. J.; Ahmad, S. FTIR, FT-Raman, UV-Visible spectra and quantum chemical calculations of allantoin molecule and its hydrogen bonded dimers Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, (136): 961-978. 2015. 10.1016/j.saa.2014.09.119 Alaniz, V.; Rocha-Rinza, T.; Cuevas, G. Assessment of Hydrophobic Interactions and Their Contributions Through the Analysis of the Methane Dimer Journal of Computational Chemistry, (36): 361-375. 2015. 10.1002/jcc.23798 Alauddin, M.; Gloaguen, E.; Brenner, V.; Tardivel, B.; Mons, M.; Zehnacker-Rentien, A.; Declerck, V.; Aitken, D. J. Intrinsic Folding Proclivities in Cyclic -Peptide Building Blocks: Configuration and Heteroatom Effects Analyzed by Conformer-Selective Spectroscopy and Quantum Chemistry Chemistry-a European Journal, (21): 16479-16493. 2015. 10.1002/chem.201501794 Albrecht, L.; Boyd, R. J. Atomic energy analysis of cooperativity, anti-cooperativity, and non-cooperativity in small clusters of methanol, water, and formaldehyde Computational and Theoretical Chemistry, (1053): 328-336. 2015. 10.1016/j.comptc.2014.08.022 Albury, R. M.; Pruitt, C. J. M.; Hester, T. H.; Goebbert, D. J. Fragmentation of Cr(NO3)(4)(-): Metal Oxidation upon O circle- Abstraction Journal of Physical Chemistry A, (119): 11471-11478. 2015. 10.1021/acs.jpca.5b08841 Alcaide, B.; Almendros, P.; Carrascosa, R.; Casarrubios, L.; Soriano, E. A Versatile Synthesis of beta-Lactam-Fused Oxacycles through the Palladium-Catalyzed Chemo-, Regio-, and Diastereoselective Cyclization of Allenic Diols Chemistry-a European Journal, (21): 2200-2213. 2015. 10.1002/chem.201405181 Aleksic, J.; Stojanovic, M.; Baranac-Stojanovic, M. Origin of Fluorine/Sulfur Gauche Effect of beta-Fluorinated Thiol, Sulfoxide, Sulfone, and Thionium Ion Journal of Organic Chemistry, (80): 10197-10207. 2015. 10.1021/acs.joc.5b01779 Alen, S.; Sajan, D.; Joseph, L.; Chaitanya, K.; Shettigar, V.; Jothy, V. B. Synthesis, growth, vibrational spectral investigations and structure-property relationship of an organic NLO crystal: 3,4-Dimethoxy chalcone Chemical Physics Letters, (636): 208-215. 2015. 10.1016/j.cplett.2015.07.030 Alen, S.; Sajan, D.; Sabu, K. J.; Sundius, T.; Chaitanya, K.; Blockhuys, F.; Jothy, V. B. Vibrational spectral analysis, electronic absorption and non-linear optical behavior of (E)-1-(2,4,6- trimethoxyphenyl)pent-1-en-3-one Vibrational Spectroscopy, (79): 1-10. 2015. 10.1016/j.vibspec.2015.04.002 Alen, S.; Sajan, D.; Umadevi, T.; Nemec, I.; Baburaj, M. S.; Jothy, V. B.; Joy, B. H. S. Twisted intramolecular charge transfer and its contribution to the NLO activity of Diglycine Picrate: A vibrational spectroscopic study Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, (135): 720-731. 2015. 10.1016/j.saa.2014.07.043 Alfonso, M.; Ferao, A. E.; Tarraga, A.; Molina, P. Electrochemical and Fluorescent Ferrocene-Imidazole-Based Dyads as Ion-Pair Receptors for Divalent Metal Cations and Oxoanions Inorganic Chemistry, (54): 7461-7473. 2015. 10.1021/acs.inorgchem.5b01071 Ali, M. M.; George, G.; Ramalingam, S.; Periandy, S.; Gokulakrishnan, V. Vibrational FT-IR, FT-Raman analysis, NMR and mass - Spectroscopic investigation on 3,6-Dimethylphenanthrene using computational calculation Journal of Molecular Structure, (1099): 463-481. 2015. 10.1016/j.molstruc.2015.05.066 Alisir, S. H.; Demir, S.; Sariboga, B.; Buyukgungor, O. A disparate 3-D silver(I) coordination polymer of pyridine-3,5-dicarboxylate and pyrimidine with strong intermetallic interactions: X-ray crystallography, photoluminescence and antimicrobial activity Journal of Coordination Chemistry, (68): 155-168. 2015. 10.1080/00958972.2014.978307 Alkorta, I.; Elguero, J.; Del Bene, J. E. Exploring the PX3:NCH and PX3:NH3 potential surfaces, with X = F, Cl, and Br Chemical Physics Letters, (641): 84-89. 2015. 10.1016/j.cplett.2015.10.050 Alkorta, I.; Elguero, J.; Grabowski, S. J. Pnicogen and hydrogen bonds: complexes between PH3X+ and PH2X systems Physical Chemistry Chemical Physics, (17): 3261-3272. 2015. 10.1039/c4cp04840g Alkorta, I.; Elguero, J.; Mo, O.; Yanez, M.; Del Bene, J. E. Using beryllium bonds to change halogen bonds from traditional to chlorine-shared to ion-pair bonds Physical Chemistry Chemical Physics, (17): 2259-2267. 2015. 10.1039/c4cp04574b Allehyani, B. H.; Elroby, S. A.; Aziz, S. G.; Hilal, R. H. Electronic structure of alloxan and
Load more

Recommended publications
  • Process for Producing Fused-Ring Aromatic Compound, and Conjugated Polymer
    (19) TZZ ¥__T (11) EP 2 774 931 A1 (12) EUROPEAN PATENT APPLICATION published in accordance with Art. 153(4) EPC (43) Date of publication: (51) Int Cl.: 10.09.2014 Bulletin 2014/37 C07F 19/00 (2006.01) C07F 7/08 (2006.01) C07F 7/22 (2006.01) C07F 7/30 (2006.01) (2006.01) (2014.01) (21) Application number: 12844675.4 C08G 61/12 H01L 31/04 (22) Date of filing: 02.11.2012 (86) International application number: PCT/JP2012/078517 (87) International publication number: WO 2013/065836 (10.05.2013 Gazette 2013/19) (84) Designated Contracting States: • KAWAI, Jyunya AL AT BE BG CH CY CZ DE DK EE ES FI FR GB Yokohama-shi GR HR HU IE IS IT LI LT LU LV MC MK MT NL NO Kanagawa 227-8502 (JP) PL PT RO RS SE SI SK SM TR •SATO,Wataru Yokohama-shi (30) Priority: 02.11.2011 JP 2011241498 Kanagawa 227-8502 (JP) 29.11.2011 JP 2011260973 • SATAKE, Kenichi Yokohama-shi (71) Applicant: Mitsubishi Chemical Corporation Kanagawa 227-8502 (JP) Chiyoda-ku • FURUYA, Mitsunori Tokyo 100-8251 (JP) Yokohama-shi Kanagawa 227-8502 (JP) (72) Inventors: • FUJITA, Rieko (74) Representative: HOFFMANN EITLE Yokohama-shi Patent- und Rechtsanwälte Kanagawa 227-8502 (JP) Arabellastrasse 4 81925 München (DE) (54) PROCESS FOR PRODUCING FUSED-RING AROMATIC COMPOUND, AND CONJUGATED POLYMER (57) The invention addresses a problem of purifying having n active groups (wherein n is an integer of 1 or a monomer to be a precursor according to a simpler and more and 4 or less), which comprises bringing a compo- milder method so as to obtain a polymer having a higher sition containing the condensed polycyclic aromatic com- molecular weight.
    [Show full text]
  • S-Block Amidoboranes: Syntheses, Structures, Reactivity and Applications Cite This: Chem
    Chem Soc Rev View Article Online REVIEW ARTICLE View Journal | View Issue s-Block amidoboranes: syntheses, structures, reactivity and applications Cite this: Chem. Soc. Rev., 2016, 45, 1112 Tom E. Stennett and Sjoerd Harder* Metal amidoborane compounds of the alkali- and alkaline earth metals have in recent years found applications in diverse disciplines, notably as hydrogen storage materials, as reagents for the reduction of organic functional groups and as catalysts and intermediates in dehydrocoupling reactions. These functions are connected by the organometallic chemistry of the MNR2BH3 group.† This review focusses on central aspects of the s-block amidoborane compounds – their syntheses, structures and reactivity. Well-defined amidoborane complexes of group 2 metals are now available by a variety of solution-phase routes, which has allowed a more detailed analysis of this functional group, which was previously largely confined to solid-state materials chemistry. Structures obtained from X-ray crystallography have begun to provide increased understanding of the fundamental steps of key processes, including amine–borane Creative Commons Attribution 3.0 Unported Licence. dehydrocoupling and hydrogen release from primary and secondary amidoboranes. We review structural parameters and reactivity to rationalise the effects of the metal, nitrogen substituents and supporting Received 10th July 2015 ligands on catalytic performance and dehydrogenative decomposition routes. Mechanistic features of DOI: 10.1039/c5cs00544b key processes involving amidoborane compounds as starting materials or intermediates are discussed, alongside emerging applications such as the use of group 1 metal amidoboranes in synthesis. Finally, the www.rsc.org/chemsocrev future prospects of this vibrant branch of main group chemistry are evaluated.
    [Show full text]
  • Environmentsensitive Fluorescent Probe: a Benzophosphole Oxide with an Electrondonating Substituent
    Angewandte Chemie International Edition:DOI:10.1002/anie.201500229 Phosphorus Heterocycles German Edition:DOI:10.1002/ange.201500229 Environment-SensitiveFluorescent Probe:ABenzophosphole Oxide with an Electron-Donating Substituent** Eriko Yamaguchi, Chenguang Wang,Aiko Fukazawa,* Masayasu Taki, Yoshikatsu Sato, Taeko Sasaki, Minako Ueda, Narie Sasaki, Tetsuya Higashiyama,* and Shigehiro Yamaguchi* Abstract: Electron-donating aryl groups were attached to phosphine oxide and sulfide derivatives exhibit desirably high electron-accepting benzophosphole skeletons.Among several thermal and chemical stability.Taking advantage of these derivatives thus prepared, one benzophosphole oxide was features,phosphole-based materials have been widely applied particularly interesting,asitretained high fluorescence quan- in organic electronics,[1g,h] including organic light-emitting tum yields even in polar and protic solvents.This phosphole- diodes[3,4] and photovoltaics.[5] However,biological applica- based compound exhibited adrastic color change of its tions have not yet been explored exhaustively.Inthis context, fluorescence spectrum as afunction of the solvent polarity, we would like to disclose here the successful development of while the absorption spectra remained virtually unchanged. highly fluorescent phosphole derivatives,and demonstrate Capitalizing on these features,this phosphole-based compound their potential as fluorescent bioimaging probes. was used to stain adipocytes,inwhich the polarity of Thecombination of an electron-accepting p-skeleton
    [Show full text]
  • Flexible Solar Cells
    Flexible Solar Cells A Major Qualifying Project Submitted to the Faculty Of Worcester Polytechnic Institute In Partial Fulfillment of the requirements for the Degree in Bachelor of Science In Mechanical Engineering By Francis LaRovere Edward Peglow Michael McMahon Project Advisor Professor Pratap Rao, Advisor This report represents work of WPI undergraduate students submitted to the faculty as evidence of a degree requirement. WPI routinely publishes these reports on its w ebsite without editorial or peer review. For more information about the projects program at WPI, see http://www.wpi.edu/Academics/Projects. 1 Table of Contents Table of Figures ............................................................................................................................................. 5 Table of Tables .............................................................................................................................................. 6 Acknowledgments ......................................................................................................................................... 7 Abstract ......................................................................................................................................................... 8 1. Introduction .............................................................................................................................................. 9 2. Scope ......................................................................................................................................................
    [Show full text]
  • UNITED STATES PATENT OFFICE 2,56,31 METHOD of REDUCING and by DRO GENATING CHEMICA, COMPOUNDS by REACTING WITE: ALUMNUM-CONAN NG BYOFREDES Hermann E
    Patented Nov. 27, 1951 2,576,31 UNITED STATES PATENT OFFICE 2,56,31 METHOD OF REDUCING AND BY DRO GENATING CHEMICA, COMPOUNDS BY REACTING WITE: ALUMNUM-CONAN NG BYOFREDES Hermann E. Schlesirager and Albert E. Finholt, Chicago, Ill.; said Schlesinger assignor of one fourth to. Edaa, M. Schlesinger and said Fin holt assignor of one-fourth to Marion H. Finholt No Drawing. Application June 3, 1947, Serial No. 752,286 2 (Cairns. (C. 260-638) 2 This invention relates to methods of making LiAlH4. Although this new compound will be aluminum-containing hydrides and the reactions called lithium aluminum hydride in the present thereof, and also relates to products prepared by application, it may also be called lithium alumi said methods. nohydride or lithium tetrahydroaluminide. In This application is a continuation-in-part of one method of making lithium aluminum hydride, our copending application Serial No. 717,312, filed lithium hydride is reacted with an aluminum December 19, 1946, now Patent No. 2,567,972, halide such as aluminum chloride in the presence issued September 18, 1951. of a suitable liquid medium such as an ether. If We have discovered that these compounds, es the reagents are mixed in the proportions of the pecially the ether soluble lithium aluminum hy 0 following equation, or if an excess of lithium hy dride, are extremely useful chemical reagents. dride is used, the reaction proceeds as follows: - They may be employed for replacing halogens or Organic radicals by hydrogen in a great variety 4Li H--AlCl3->LiAlH4--3LiCl of compounds. As a result, their discovery has led to new methods, safer, more convenient, and 16 The liquid medium used is one in which one of more efficient than those hitherto known, for pro the reaction products, e.
    [Show full text]
  • Sulfur-Containing Radicals: from EPR Spectroscopic Studies to Synthetic Methodology
    Sulfur-containing Radicals: From EPR Spectroscopic Studies to Synthetic Methodology A Thesis Presented to the University of London in Partial Fulfilment of the Requirements for the Degree of Doctor of Philosophy Alistair John Fielding February 2002 Christopher Ingold Laboratories Department of Chemistry University College London London WCIH OAJ UCL ProQuest Number: 10015687 All rights reserved INFORMATION TO ALL USERS The quality of this reproduction is dependent upon the quality of the copy submitted. In the unlikely event that the author did not send a complete manuscript and there are missing pages, these will be noted. Also, if material had to be removed, a note will indicate the deletion. uest. ProQuest 10015687 Published by ProQuest LLC(2016). Copyright of the Dissertation is held by the Author. All rights reserved. This work is protected against unauthorized copying under Title 17, United States Code. Microform Edition © ProQuest LLC. ProQuest LLC 789 East Eisenhower Parkway P.O. Box 1346 Ann Arbor, Ml 48106-1346 7 believe a leaf of grass is no less than the journey-work of the stars. ” Walt Whitman This thesis is dedicated to my late Auntie, Doreen Latter. 1930-2001 ABSTRACT A variety of novel homochiral silanethiols have been prepared and investigated as polarity-reversal catalysts for the enantioselective hydrosilylation of a prochiral alkene. The enantiomeric excesses of the products were disappointingly small. A computer modelling procedure, based on molecular mechanics, was applied in order to understand the results and quantitative agreement with experiment was reasonably good. Silanethiols have been oxidised to the corresponding disulfides and these have been investigated as photochemical sources of silanethiyl radicals.
    [Show full text]
  • Synthesis and Applications in Fluorescence Imaging
    Phosphole P Oxide Containing π Electron Materials: Synthesis and ─ Applications─ in Fluorescence─ Imaging Shigehiro Yamaguchi, 1,2＊ Aiko Fukazawa, 2 and Masayasu Taki 1 1＊ Institute of Transformative Bio ─ Molecules (WPI ─ ITbM), Nagoya University 2＊ Furo, Chikusa, Nagoya 464 ─ 8602, Japan Department of Chemistry, Graduate School of Science, and Integrated Research Consortium on Chemical Sciences (IRCCS), Nagoya University Furo, Chikusa, Nagoya 464 ─ 8602, Japan (Received September 8, 2017; E ─ mail: [email protected]) Abstract: Phosphole P ─ oxide is a useful building block for π ─ conjugated materials due to its nonaromatic and electron ─ accepting character. We have synthesized a series of ring ─ fused derivatives of phosphole P ─ oxide based on the intramolecular nucleophilic cyclization of appropriate alkyne precursors or radical phosphany- lations. Some of the thus obtained compounds exhibited intriguing uorescence properties and were applied to uorescence imaging. A donor ─ acceptor ─ type benzo[b]phosphole P ─ oxide with a (diphenylamino)phenyl group exhibited large solvatochromism in its uorescence spectra, and could hence be used as a staining agent for lipid droplets. C ─ Naphox and PB430, which consist of fully ring ─ fused π ─ conjugated ladder ─ type scaf- folds, exhibited outstanding photostability and their absorption and emission properties were suitable for super ─ resolution STED imaging. Moreover, using PB430 ─ conjugated antibodies, we carried out a 3 ─ D recon- struction of the STED images and developed
    [Show full text]
  • Preparations, Solution Composition, and Reactions of Complex Metal Hydrides and Ate Complexes of Zinc, Aluminum, and Copper a Th
    PREPARATIONS, SOLUTION COMPOSITION, AND REACTIONS OF COMPLEX METAL HYDRIDES AND ATE COMPLEXES OF ZINC, ALUMINUM, AND COPPER A THESIS Presented to The Faculty of the Division of Graduate Studies By John Joseph Watkins In Partial Fulfillment of the Requirements for the Degree Doctor of Philosophy in the School of Chemistry Georgia Institute of Technology April, 1977 PREPARATIONS, SOLUTION COMPOSITION, AND REACTIONS OF COMPLEX METAL HYDRIDES AND ATE COMPLEXES OF ZINC, ALUMINUM, AND COPPER Approved: Erlin^rbrovenstein, Jr., Chairman H. 0. House E. C. Ashby Date approved by Chairman £~^3c>l~l~f ii ACKNOWLEDGMENTS Many individuals and organizations have contributed to the successful completion of this thesis. The following acknowledgments are not complete, but I hope I have expressed my gratitude to the people and organizations upon whom I depended the most. The School of Chemistry supported my first three years of work by the award of an NSF fellowship. My last year of work was generously supported by the St. Regis Paper Company, who graciously gave me leave of absence with salary so that the requirements for this thesis could be completed. This stipend and tuition support of my work freed me to concentrate on research without the financial difficulties encountered by many graduate students. All the faculty and staff of the School of Chemistry supported my research. I particularly would like to recognize Professor W. M. Spicer, Professor J. A. Bertrand, Professor C. L. Liotta, Mr. Gerald O'Brien, and Mr. D. E. Lillie. Post-doctoral assistants and fellow graduate students who contributed to my experience at the Georgia Insti­ tute of Technology include Dr.
    [Show full text]
  • Material Safety Data Sheet
    LTS Research Laboratories, Inc. Safety Data Sheet Silicon Sulfide ––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––– 1. Product and Company Identification ––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––– Trade Name: Silicon Sulfide Chemical Formula: SiS2 Recommended Use: Scientific research and development Manufacturer/Supplier: LTS Research Laboratories, Inc. Street: 37 Ramland Road City: Orangeburg State: New York Zip Code: 10962 Country: USA Tel #: 855-587-2436 / 855-lts-chem 24-Hour Emergency Contact: 800-424-9300 (US & Canada) +1-703-527-3887 (International) ––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––– 2. Hazards Identification ––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––– Signal Word: Danger Hazard Statements: H261: In contact with water releases flammable gas H300: Fatal if swallowed H315: Causes skin irritation H319: Causes serious eye irritation H335: May cause respiratory irritation Precautionary Statements: P231+P232: Handle under inert gas. Protect from moisture P261: Avoid breathing dust/fume/vapor P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing P405: Store locked up P501: Dispose of contents/container in accordance with local/regional/national/international regulations
    [Show full text]
  • Reversible Coordination of Boron−, Aluminum−, Zinc−, Magnesium
    Forum Article pubs.acs.org/IC Reversible Coordination of Boron−, Aluminum−, Zinc−, − − Magnesium , and Calcium Hydrogen Bonds to Bent {CuL2} Fragments: Heavy σ Complexes of the Lightest Coinage Metal Alexandra Hicken,†,‡ Andrew J. P. White,‡ and Mark R. Crimmin*,‡ † ‡ SSCP DTP, Grantham Institute, and Department of Chemistry, Imperial College London, South Kensington, London SW7 2AZ, U.K. *S Supporting Information ABSTRACT: A series of copper(I) complexes bearing electron-deficient β- diketiminate ligands have been prepared. The study includes [{{ArNC(CR3)}2CH}- η2 · · Cu( -toluene)n] (Ar = Mes, R = F, n = 0.5, [12 tol]; Ar = C6F5, R = Me, n =1,[2 · − · tol]; Ar = 2,6-Cl2C6H3,R=H,n = 0.5, [32 tol]). Reactions of [1 3n tol] with boranes, alanes, a zinc hydride, a magnesium hydride, and a calcium hydride generate the corresponding σ complexes ([1−3·B], [3·B′], [3·Al], [3·Al′], [1−3·Zn], [1·Mg], and [1·Ca]). These species all form reversibly, being in equilibrium with the arene solvates in solution. With the exception of the calcium complex, the complexes have all been characterized by single-crystal X-ray diffraction studies. In solution, the σ-hydride of the aluminum, zinc, magnesium, and − − − σ calcium derivatives resonates between 0.12 and 1.77 ppm (C6D6 or toluene-d8, 193 298 K). For the -borane complexes, the hydrides are observed as a single resonance between 2 and 3.5 ppm (C6D6, 298 K) and bridging and terminal hydrides rapidly exchange on the NMR time scale even at 193 K. Quantification of the solution dynamics by van’tHoff analysis yields expectedly small values of ΔH° and negative values of ΔS° consistent with weak binding and a reversible process that does not involve aggregation of the copper species.
    [Show full text]
  • Creating New Layered Structures at High Pressures: Sis2 Dušan Plašienka1, Roman Martoňák1 & Erio Tosatti2,3
    www.nature.com/scientificreports OPEN Creating new layered structures at high pressures: SiS2 Dušan Plašienka1, Roman Martoňák1 & Erio Tosatti2,3 Old and novel layered structures are attracting increasing attention for their physical, electronic, and Received: 27 September 2016 frictional properties. SiS2, isoelectronic to SiO2, CO2 and CS2, is a material whose phases known Accepted: 03 November 2016 experimentally up to 6 GPa exhibit 1D chain-like, 2D layered and 3D tetrahedral structures. We present Published: 25 November 2016 highly predictive ab initio calculations combined with evolutionary structure search and molecular dynamics simulations of the structural and electronic evolution of SiS2 up to 100 GPa. A highly stable CdI2-type layered structure, which is octahedrally coordinated with space group P31m surprisingly appears between 4 and up to at least 100 GPa. The tetrahedral-octahedral switch is naturally expected upon compression, unlike the layered character realized here by edge-sharing SiS6 octahedral units connecting within but not among sheets. The predicted phase is semiconducting with an indirect band gap of about 2 eV at 10 GPa, decreasing under pressure until metallization around 40 GPa. The robustness of the layered phase suggests possible recovery at ambient pressure, where calculated phonon spectra indicate dynamical stability. Even a single monolayer is found to be dynamically stable in isolation, suggesting that it could possibly be sheared or exfoliated from bulk P31m -SiS2. SiS2 is a member of an important family of group IV-VI AB2 compounds made of light elements including 1–14 15–22 23–27 28–31 well-known materials such as CO2 , SiO2 , GeO2 and CS2 .
    [Show full text]
  • Program 1..154
    The 97th Annual Meeting of CSJ Program Chair: INOUE, Haruo（15：30～15：55） Room S1 1S1- 15 Medium and Long-Term Program Lecture Artificial Photosynthesis of Ammonia（RIES, Hokkaido Univ.）○MISAWA, Hiroaki （15:30～15:55） Fourth Building, Section B J11 Chair: INOUE, Haruo（15：55～16：20） 1S1- 16 Medium and Long-Term Program Lecture Mechanism of water-splitting by photosystem II using the energy of visible light（Grad. Sustainable and Functional Redox Chemistry Sch. Nat. Sci. Technol., Okayama Univ.）○SHEN, Jian-ren（15:55～ ） Thursday, March 16, AM 16:20 （9：30 ～9：35 ） Chair: TAMIAKI, Hitoshi（16：20～16：45） 1S1- 01 Special Program Lecture Opening Remarks（Sch. Mater. & 1S1- 17 Medium and Long-Term Program Lecture Excited State Chem. Tech., Tokyo Tech.）○INAGI, Shinsuke（09:30～09:35） Molecular Dynamics of Natural and Artificial Photosynthesis（Sch. Sci. Tech., Kwansei Gakuin Univ.）○HASHIMOTO, Hideki（16:20～16:45） Chair: ATOBE, Mahito（9：35 ～10：50） 1S1- 02 Special Program Lecture Polymer Redox Chemistry toward Chair: ISHITANI, Osamu（16：45～17：10） Functional Materials（Sch. Mater. & Chem. Tech., Tokyo Tech.）○INAGI, 1S1- 18 Medium and Long-Term Program Lecture Recent pro- Shinsuke（09:35～09:50） gress on artificial photosynthesis system based on semiconductor photocata- 1S1- 03 Special Program Lecture Organic Redox Chemistry Enables lysts（Grad. Sch. Eng., Kyoto Univ.）○ABE, Ryu（16:45～17:10） Automated Solution-Phase Synthesis of Oligosaccharides（Grad. Sch. Eng., Tottori Univ.）○NOKAMI, Toshiki（09:50～10:10） （17：10～17：20） 1S1- 04 Special Program Lecture Redox Regulation of Functional 1S1- 19 Medium and Long-Term Program Lecture Closing re- Dyes and Their Applications to Optoelectronic Devices（Fac.
    [Show full text]