Structure and interaction energies of the Ar center dot center dot center dot Cl-2 complex. Application of first-order intermolecular potentials

被引：19

作者：

Buchachenko, AA

Stepanov, NF

机构：

[1] Lab. of Molec. Struct. and Quant. M., Department of Chemistry, Moscow State University

来源：

CHEMICAL PHYSICS LETTERS | 1996年 / 261卷 / 4-5期

基金：

俄罗斯基础研究基金会;

关键词：

D O I：

10.1016/0009-2614(96)00992-X

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 first-order intermolecular perturbation theory developed in the frame of a diatomics-in-molecule approach is used to calculate the potential energy surfaces for the Ar...Cl-2 complex in the states which correlate with the XO(g)(+)((1) Sigma(+)) and BOu+ ((3) Pi) states of the Cl-2 fragment. Accurate vibrational calculations performed directly with these surfaces reveal close agreement with spectroscopic data.

引用

页码：591 / 596

页数：6

共 24 条

[1]

[Anonymous], INTERMOLECULAR INTER

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