Electron affinity of SF6

被引：16

作者：

Klobukowski, M ^{[1
]}

Diercksen, GHF ^{[1
]}

de la Vega, JMG ^{[1
]}

机构：

[1] Univ Alberta, Dept Chem, Edmonton, AB T6G 2G2, Canada

来源：

ADVANCES IN QUANTUM CHEMISTRY, VOL. 28: RECENT ADVANCES IN COMPUTATIONAL CHEMISTRY | 1997年 / 28卷

基金：

加拿大自然科学与工程研究理事会;

关键词：

D O I：

10.1016/S0065-3276(08)60215-4

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：

Electron affinity of sulfur hexafluoride was studied using various density functionals and systematically expanded basis sets with polarization function exponents optimized in molecular environment. f-type polarization functions were found necessary to ensure convergence of both geometry and electron affinity. The ion was found to have octahedral symmetry, and the smallest value of electron affinity is only 1.40 eV (1.6 eV with zero-point energy correction). © 1997 Academic Press Inc.

引用

页码：189 / 203

页数：15

共 50 条

[11] Highly accurate determination of the electron affinity of SF6 and analysis of structure and photodetachment spectrum of SF6-
Eisfeld, Wolfgang
JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (05):
[12] Low-energy electron attachment to SF6.: III.: From thermal detachment to the electron affinity of SF6
Viggiano, Albert A.
Miller, Thomas M.
Friedman, Jeffrey F.
Troe, Juergen
JOURNAL OF CHEMICAL PHYSICS, 2007, 127 (24):
[13] ELECTRON-ATTACHMENT AND ELECTRON-IMPACT IONIZATION OF SF6 AND SF6/AR CLUSTERS
STAMATOVIC, A
SCHEIER, P
MARK, TD
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (11): : 6884 - 6888
[14] Electron attachment to the SF6 molecule
Smirnov, B. M.
Kosarim, A. V.
JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS, 2015, 121 (03) : 377 - 384
[15] Electron attachment to the SF6 molecule
B. M. Smirnov
A. V. Kosarim
Journal of Experimental and Theoretical Physics, 2015, 121 : 377 - 384
[16] DEVELOPMENT OF ELECTRON SWARMS IN SF6
ITOH, H
KAWAGUCHI, M
SATOH, K
MIURA, Y
NAKAO, Y
TAGASHIRA, H
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 1990, 23 (03) : 299 - 303
[17] PRODUCTION OF NONSTOICHIOMETRIC SF6 CLUSTER ANIONS BY ELECTRON-ATTACHMENT TO SF6 CLUSTERS
RAUTH, T
ECHT, O
MARK, TD
CHEMICAL PHYSICS LETTERS, 1993, 201 (1-4) : 345 - 350
[18] ELECTRON-AFFINITY OF SF6 AND PERFLUOROMETHYLCYCLOHEXANE - THE UNUSUAL KINETICS OF ELECTRON-TRANSFER REACTIONS A-+B=A+B-, WHERE A=SF6 OR PERFLUORINATED CYCLO-ALKANES
GRIMSRUD, EP
CHOWDHURY, S
KEBARLE, P
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (03): : 1059 - 1068
[19] Electron attachment to SF6 and lifetimes of SF6- negative ions
Gerchikov, L. G.
Gribakin, G. F.
PHYSICAL REVIEW A, 2008, 77 (04):
[20] ELECTRON-TRANSPORT COEFFICIENTS IN SF6
ITOH, H
MATSUMURA, T
SATOH, K
DATE, H
NAKAO, Y
TAGASHIRA, H
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 1993, 26 (11) : 1975 - 1979

← 1 2 3 4 5 →