Theoretical study of the photophysics of SF5CF3

被引：7

作者：

Masiak, P ^{[1
]}

Sobolewski, AL ^{[1
]}

机构：

[1] Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland

来源：

CHEMICAL PHYSICS | 2005年 / 313卷 / 1-3期

关键词：

D O I：

10.1016/j.chemphys.2004.12.003

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The photophysical properties of trifluoromethyl sulfur pentafluoride (SF5CF3) are investigated with the HF, MP2, CIS, CC2, and TDDFT electronic structure theory methods. The potential-energy surface of the nearly degenerate pair of the lowest excited singlet states is found to be repulsive for stretching of the C-S and S-F bonds. The implications of these theoretical findings for the photophysical reactivity and photostability of the title compound in the atmosphere are discussed. (c) 2004 Published by Elsevier B.V.

引用

页码：169 / 176

页数：8

共 50 条

[31] Temperature dependent electron and anion chemistry of the super greenhouse gas SF5CF3
Arnold, S
Miller, TM
Viggiano, A
Knighton, WB
Mayhew, CA
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 224 : U324 - U324
[32] Mechanism for electron-induced SF5CF3 formation in condensed molecular films
Solovev, Sergey
Palmentieri, Adam
Potekhina, N. D.
Madey, Theodore E.
JOURNAL OF PHYSICAL CHEMISTRY C, 2007, 111 (49): : 18271 - 18278
[33] Application of GC and modulated ECD for the determination of SF5CF3 mixing ratios in the atmosphere
Rosiek, J.
Lasa, J.
Sliwka, I.
Rozanski, K.
CHEMIA ANALITYCZNA, 2007, 52 (02): : 235 - 242
[34] SF5CF3与H反应机理的理论研究
姚焕英
李林优
侯雯雯
刘艳
渭南师范学院学报, 2014, 29 (23) : 33 - 36+40
[35] Mechanistic studies on the formation of trifluoromethyl sulfur pentafluoride, SF5CF3 -: a greenhouse gas
Carrier, William
Jamieson, Corey S.
Kaiser, Ralf I.
INORGANIC CHEMISTRY, 2007, 46 (04) : 1332 - 1336
[36] Highly resolved absolute cross-sections for dissociative electron attachment to SF5CF3
Graupner, K.
Graham, L. M.
Field, T. A.
Mayhew, C. A.
Fabrikant, I. I.
Miller, T. M.
Braun, M.
Ruf, M. -W.
Hotop, H.
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2008, 277 (1-3) : 113 - 122
[37] S 2p photoabsorption of the SF5CF3 molecule: Experiment, theory and comparison with SF6
Kivimaki, A.
Alvarez-Ruiz, J.
Coreno, M.
Stankiewicz, M.
Fronzoni, G.
Stener, M.
Decleva, P.
CHEMICAL PHYSICS, 2010, 375 (01) : 101 - 109
[38] The prediction of environmental fate for trifluoromethyl sulfur pentafluoride (SF5CF3), a potent greenhouse gas
Tsai, Wen-Tien
JOURNAL OF HAZARDOUS MATERIALS, 2007, 149 (03) : 747 - 751
[39] Temperature-dependent absorption cross-sections in the thermal infrared bands Of SF5CF3
Rinsland, CP
Sharpe, SW
Sams, RL
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2003, 82 (1-4): : 483 - 490
[40] An experimental study of SF5CF3 by electron energy loss spectroscopy, VUV photo-absorption and photoelectron spectroscopy
Limao-Vieira, P
Eden, S
Kendall, PA
Mason, NJ
Giuliani, A
Heinesch, J
Hubin-Franskin, MJ
Delwiche, J
Hoffmann, SV
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2004, 233 (1-3) : 335 - 341

← 1 2 3 4 5 →