Structural properties of CH3CN–SO2 in the gas phase and condensed-phase media via density functional theory and infrared spectroscopy (English)
- New search for: Eigner, Audrey A.
- New search for: Wrass, John P.
- New search for: Smith, Elizabeth L.
- New search for: Knutson, Christopher C.
- New search for: Phillips, James A.
- New search for: Eigner, Audrey A.
- New search for: Wrass, John P.
- New search for: Smith, Elizabeth L.
- New search for: Knutson, Christopher C.
- New search for: Phillips, James A.
In:
Journal of Molecular Structure
;
919
, 1-3
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312-320
;
2008
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Structural properties of CH3CN–SO2 in the gas phase and condensed-phase media via density functional theory and infrared spectroscopy
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Contributors:Eigner, Audrey A. ( author ) / Wrass, John P. ( author ) / Smith, Elizabeth L. ( author ) / Knutson, Christopher C. ( author ) / Phillips, James A. ( author )
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Published in:Journal of Molecular Structure ; 919, 1-3 ; 312-320
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Publisher:
- New search for: Elsevier B.V.
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Publication date:2008-09-25
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Size:9 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 919, Issue 1-3
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Compared properties of textures of lyotropic mesophases of binary and ternary systems based on tetradecyltrimethyl ammonium bromideMasalci, Özgür / Kazanci, Nadide et al. | 2008
- 7
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The adsorption behavior of two hydroxyl-terminated Schiff bases on the silver surface and the correlated study of SERS effectFu, Xiao-Qi / Bei, Feng-Li / Wu, Xiao-Dong / Yang, Xu-Jie / Wang, Xin et al. | 2008
- 12
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Effect of N-methylation on both ground and excited states properties of 1-(9-anthryl)-2-(2-benzothiazolyl) etheneEtaiw, Safaa El-Din H. / Awad, Mohamed K. / Fayed, Tarek A. / El-Hendawy, Morad M. et al. | 2008
- 21
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Molecular complex morpholine–CO2–H2OJiang, Huiming / Zhang, Shufen / Xu, Yingmei et al. | 2008
- 26
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Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-X-C6H4SO2NH2 (X=Cl, Br or F)Karabacak, Mehmet / Çınar, Mehmet / Çoruh, Ali / Kurt, Mustafa et al. | 2008
- 34
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Synthesis, reactivity investigation, and X-ray diffraction structures of new platinum(II) compounds containing redox-active diphosphine ligandsHunt, Sean W. / Wang, Xiaoping / Richmond, Michael G. et al. | 2008
- 41
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Vibrational spectroscopic study on some Hofmann type clathrates: M(1-Phenylpiperazine)2Ni(CN)4·2G (M=Ni, Co and Cd; G=aniline)Parlak, Cemal / Alver, Özgür / Şenyel, Mustafa et al. | 2008
- 47
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4-Halo-1,3-oxazoles: Unambiguous structural assignment of 2-halo-2-benzoyl-2H-azirine-3-carboxylates thermal ring expansion productsLopes, Susy / Nunes, Cláudio M. / Fausto, Rui / Pinho e Melo, Teresa M.V.D. et al. | 2008
- 54
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Molecular mechanics description of the stabilized effects in (ethylenediamine-N,Nprime-diacetato)chromate(III) dinuclear complex bridged by pyrazole-3,5-dicarboxylate: DFT calculations of magnetic propertiesGrubisic, S. / Gruden-Pavlovic, M. / Radanovic, D. D. / Peric, M. / Niketic, S. R. et al. | 2009
- 54
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Molecular mechanics description of the stabilized effects in (ethylenediamine-N,N′-diacetato)chromate(III) dinuclear complex bridged by pyrazole-3,5-dicarboxylate: DFT calculations of magnetic propertiesGrubišić, Sonja / Gruden-Pavlović, Maja / Radanović, Dušanka D. / Perić, Marko / Niketić, Svetozar R. et al. | 2008
- 59
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Synthesis, characterization and crystal structures of three new inorganic dinuclear diperoxo complexes of W(VI) and Mo(VI); Rb2{O[WO(O2)2H2O]2}·H2O, Rb2{O[MoO(O2)2H2O]2}·H2O and Cs2{O[MoO(O2)2]2}Grzywa, M. / Nitek, W. / Łasocha, W. et al. | 2008
- 66
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Hydrogen bonding and solution state structure of salicylaldehyde-4-phenylthiosemicarbazone: A combined experimental and theoretical studyNovak, Predrag / Pičuljan, Katarina / Hrenar, Tomica / Biljan, Tomislav / Meić, Zlatko et al. | 2008
- 72
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Hydrogen bonded helices: Synthesis, crystal structure and self-assembled microtubesMosae Selvakumar, P. / Suresh, E. / Subramanian, P.S. et al. | 2008
- 79
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Interaction of meso-tetrakis (p-sulfonatophenyl) porphyrin (TSPP) with pyrimidines: A steady state and time-resolved fluorescence quenching studyKathiravan, A. / Anbazhagan, V. / Asha Jhonsi, M. / Renganathan, R. et al. | 2008
- 83
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Experimental and theoretical study of a novel compound: Fluorocarbonylsulfenyl acetate, FC(O)SOC(O)CH3Tong, Shengrui / Ge, Maofa / Wang, Weigang / Della Védova, Carlos O. et al. | 2008
- 89
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Precise ground state molecular parameters of chloromethaneNová Stříteská, Lucie / Šimečková, Marie / Kania, Patrik / Musil, Peter / Kolesniková, Lucie / Koubek, Jindřich / Urban, Štěpán et al. | 2008
- 94
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Raman spectroscopic and DFT theoretical study of 4-(2-pyridylazo)resorcinol and its complexes with zinc(II) and copper(II)Leopold, Nicolae / Szabó, László / Pîrnău, Adrian / Aluaş, Mihaela / Leopold, Loredana F. / Chiş, Vasile / Cozar, Onuc et al. | 2008
- 100
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Synthesis and the optoelectronic properties of diarylethene derivatives having benzothiophene and n-alkyl thiophene unitsPu, Shouzhi / Li, Min / Fan, Congbin / Liu, Gang / Shen, Liang et al. | 2008
- 112
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Two new 1D structures of copper(II) or yttrium(III) phosphonatobenzenesulfonates using 1,10-phenanthroline as auxilary ligandDu, Zi-Yi / Huang, Jian-Jun / Xie, Yong-Rong / Wen, He-Rui et al. | 2008
- 117
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Hydrogen bonding. Part 87: DFT MO study of hydration of tetramethyl- and tetraethylammonium ions – Correlation of hydrate symmetry with 14N to CH NMR couplingHarmon, Kenneth M. et al. | 2008
- 122
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Synthesis and crystal structures of two inorganic–organic hybrid vanadium selenites with layered structures: (DABCOH2)[(VO2)(SeO3)]2·1.25H2O and (pipeH2)[(VO)2(C2O4)(SeO3)2]Lian, Zhaoxun / Zhang, Jiamin / Gu, Yongqing / Wang, Tianxi / Lou, Tianjun et al. | 2008
- 128
-
A theoretical IR spectroscopic study based on DFT calculations for free mn-15S2O3 maleonitrile-dithiacrown ether compoundBalci, K. / Koch, A. / Kleinpeter, E. et al. | 2008
- 140
-
Synthesis and characterization by FTIR spectroscopy of silica aerogels prepared using several Si(OR)4 and R′′Si(OR′)3 precursorsAl-Oweini, Rami / El-Rassy, Houssam et al. | 2008
- 140
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Synthesis and characterization by FTIR spectroscopy of silica aerogels prepared using several Si(OR)4 and RprimeprimeSi(ORprime)3 precursorsAl-Oweini, R. / El-Rassy, H. et al. | 2009
- 146
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Molecular structure and electrical properties of some phosphonates, phosphine-oxides and phosphatesPrezhdo, O.V. / Gawdzik, B. / Zubkova, V.V. / Prezhdo, V.V. et al. | 2008
- 154
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Structure, antibacterial activity and theoretical study of 2-hydroxy-1-naphthaldehyde-N-methylethanesulfonylhydrazoneÖzbek, Neslihan / Kavak, Gülten / Özcan, Yusuf / İde, Semra / Karacan, Nurcan et al. | 2008
- 160
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A 3D architecture constructed by saturated Dawson polyoxoanions and transition-metal coordination complexes [CuI7(Bpy)6(BpyEt)2]Zhao, Xinyu / Liu, Shuxia / Ren, Yuanhang / Gao, Chaoying / Cao, Ruige / Yu, Chaojie et al. | 2008
- 164
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Infrared and Raman studies of manganese dihydrogen phosphate dihydrate, Mn(H2PO4)2·2H2O. Part II: Region of the internal OH group vibrationsKoleva, V. / Stefov, V. / Cahil, A. / Najdoski, M. / Šoptrajanov, B. / Engelen, B. / Lutz, H.D. et al. | 2008
- 170
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Synthesis, experimental and theoretical investigations of some new 4,4prime-bis(3-substituted-4,5-dihydro-1H-1,2,4-triazol-5-one-4-yl)diphenylmethane derivativesPitucha, M. / Borowski, P. / Karczmarzyk, Z. / Fruzinski, A. et al. | 2009
- 170
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Synthesis, experimental and theoretical investigations of some new 4,4′-bis(3-substituted-4,5-dihydro-1H-1,2,4-triazol-5-one-4-yl)diphenylmethane derivativesPitucha, Monika / Borowski, Piotr / Karczmarzyk, Zbigniew / Fruziński, Andrzej et al. | 2008
- 178
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Syntheses, crystal structures, energy bands, and optical characterizations of Na5Ln(MoO4)4 (Ln=Gd, Er)Zhao, D. / Cheng, W.-D. / Zhang, H. / Huang, S.-P. / Fang, M. / Zhang, W.-L. / Yang, S.-L. et al. | 2008
- 185
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Hydrothermal synthesis, crystal structure and photoluminescence of two 1D Zn(II) coordination polymersHuang, Yan / Yan, Bing / Shao, Min et al. | 2008
- 189
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Syntheses, crystal structures and characterizations of three new copper(II) azide coordination polymers with 1,2,4-triazole ligandsLiu, Jing-Jing / He, Xiang / Shao, Min / Li, Ming-Xing et al. | 2008
- 196
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Pseudohalide copper(II) complexes derived from polypyridyl ligands: Synthesis and characterizationMautner, Franz A. / Louka, Febee R. / LeGuet, Thibaut / Massoud, Salah S. et al. | 2008
- 204
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Theoretical study on the electronic structures and optical properties of blue phosphorescent iridium(III) complexesZhang, Min / Li, Ze-Sheng / Sun, Jia-Zhong et al. | 2008
- 210
-
Spectroscopic studies on the interaction between phycocyanin and bovine serum albuminKathiravan, A. / Chandramohan, M. / Renganathan, R. / Sekar, S. et al. | 2008
- 215
-
The spectroscopic (FT-IR and FT-Raman) and theoretical studies of 5-bromo-salicylic acidKarabacak, Mehmet / Kurt, Mustafa et al. | 2008
- 223
-
Experimental and theoretical study of the conformational, vibrational and magnetic properties of 4,6-di-O-acetyl-2,3-dideoxy-d-threo-hex-2-enopyranosyl ethanesulfonamideLuján Alegre, M. / Diez, Reinaldo Pis / Colinas, Pedro A. et al. | 2008
- 227
-
Synthesis, spectroscopic studies and crystal structure of (E)-2-(2,4-dihydroxybenzylidene)thiosemicarbazone and (E)-2-[(1H-indol-3-yl)methylene]thiosemicarbazoneYıldız, Mustafa / Ünver, Hüseyin / Erdener, Diğdem / Kiraz, Aşkın / İskeleli, Nazan Ocak et al. | 2008
- 235
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A copper/p-sulfonatocalix[6]arene/phenanthroline supramolecular compound with 1D [Cu2-calixarene]n coordination chainsLiu, Yabing / Bi, Yanfeng / He, Wenwei / Wang, Xiaofei / Liao, Wuping / Zhang, Hongjie et al. | 2008
- 239
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Geometry and absorption of diketo-pyrrolo-pyrrole isomers and their π-isoelectronic furo-furanone analoguesLuňák, Stanislav Jr. / Vyňuchal, Jan / Hrdina, Radim et al. | 2008
- 239
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Geometry and absorption of diketo-pyrrolo-pyrrole isomers and their p-isoelectronic furo-furanone analoguesLunak, S. / Vynuchal, J. / Hrdina, R. et al. | 2009
- 246
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New structural motifs and properties of squaric acid anions in the presence of the l-lysinium counterionKolev, Tsonko / Mayer-Figge, Heike / Seidel, Rüdiger W. / Sheldrick, William S. / Spiteller, Michael / Koleva, Bojidarka B. et al. | 2008
- 255
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Crystal structure and vibrational spectra of 2-chloromethyl-5-hydroxy-4H-pyran-4-one and 5-hydroxy-2-methyl-4H-pyran-4-one as potential ligands for Fe(III) complexesHryniewicz, Katarzyna / Stadnicka, Katarzyna / Pattek-Janczyk, Agnieszka et al. | 2008
- 271
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Conformational and structural analysis of 2-allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide as probed by matrix-isolation spectroscopy and quantum chemical calculationsGómez-Zavaglia, Andrea / Kaczor, Agnieszka / Coelho, Daniela / Cristiano, M. Lurdes S. / Fausto, Rui et al. | 2008
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Hydrothermal synthesis, crystal structure, and luminescence of lanthanide(III) coordination polymers with tetrafluorosuccinate and 1,10-phenanthrolineLi, Xia / Zhang, Yan-Bin / Zou, Ying-Quan et al. | 2008
- 284
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Vibrational spectra and antimicrobial activity of selected bivalent cation benzoatesBorawska, M.H. / Koczoń, P. / Piekut, J. / Świsłocka, R. / Lewandowski, W. et al. | 2008
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Theoretical investigations of the γ-gauche effect on the 13C chemical shifts produced by oxygen atoms at the γ position by quantum chemistry calculationsSuzuki, Shinji / Horii, Fumitaka / Kurosu, Hiromichi et al. | 2008
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Theoretical investigations of the g-gauche effect on the 13C chemical shifts produced by oxygen atoms at the g position by quantum chemistry calculationsSuzuki, S. / Horii, F. / Kurosu, H. et al. | 2009
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Syntheses, crystal structures and electrochemical properties of Zn(II), Ag(I) and Cu(II) complexes based on 2-[(4,6-dimethylpyrimidinyl)-2-thio] acetic acidDing, Degang / Xie, Lixia / Fan, Yaoting / Wang, Yuling / Hou, Hongwei et al. | 2008
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Vibrational, structural and theoretical studies of potassium dl-phenylglycinateIlczyszyn, Maria M. / Lis, Tadeusz / Wierzejewska, Maria / Zatajska, Małgorzata et al. | 2008
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Structural properties of CH3CN–SO2 in the gas phase and condensed-phase media via density functional theory and infrared spectroscopyEigner, Audrey A. / Wrass, John P. / Smith, Elizabeth L. / Knutson, Christopher C. / Phillips, James A. et al. | 2008
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Solvent-oriented 1H NMR chemical shifts of pyridinium iodide and application of Buckingham equationJanjua, N. Kausar / Qureshi, R. / Ahmed, S. / Yaseen Khan, A. / Muhammad, M. / Sadiq Subhani, M. / Iqbal (late), R. et al. | 2008
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Study on THz spectrum of artemeterZhou, Binquan / Fang, Jiancheng / Wu, Fengping / Dong, Haifeng et al. | 2008
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12-Crown-4-based amphipathic lipid and corresponding metal cation complexes for gene therapy applications: FT-IR characterization and surface charge determinationBruni, P. / Fino, V. / Pisani, M. / Tosi, G. / Stipa, P. / Ferraris, P. / Francescangeli, O. et al. | 2008
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Spectroscopic investigations on the mechanism of interaction of crystal violet with bovine serum albuminXu, Hui / Gao, Shu-Li / Lv, Ju-Bo / Liu, Quan-Wen / Zuo, Ying / Wang, Xin et al. | 2008
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