DISSOCIATION OF DOUBLY CHARGED SH RADICALS - AN EXPERIMENTAL AND THEORETICAL-STUDY

被引：10
|
作者：
MATHUR, D
NAGESHA, K
MARATHE, VR
机构：
[1] Tate Institute of Fundamental Research, Bombay, 400 005, Homi Bhabha Road
来源：
CHEMICAL PHYSICS LETTERS | 1992年 / 200卷 / 04期
关键词：
D O I：
10.1016/0009-2614(92)87010-M
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：
Ion translational energy spectrometry has been applied to study unimolecular and collision-induced dissociation of dications of the SH radical. Experimentally determined values of the kinetic energy released upon dissociation are satisfactorily correlated with results of high-level ab initio calculations of potential energy curves of the ground and low-lying excited electronic states of SH2+ ions. Quantum-chemical methods in which configuration interaction effects are accounted for via the coupled-cluster approach are employed.
引用
收藏
页码：394 / 398
页数：5
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