ENHANCEMENT OF VIBRATIONAL-MODE MIXING DUE TO ISOMERIZATION BARRIER CROSSINGS

被引：9

作者：

CHAMBERS, CC

THOMPSON, DL

机构：

[1] Department of Chemistry, Oklahoma State University, Stillwater

来源：

CHEMICAL PHYSICS LETTERS | 1994年 / 218卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(93)E1442-J

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：

Power spectra of classical trajectories have been used to study the influence of recrossings of a transition state on vibrational mode mixing. Realistic models of methyl nitrite and HONO are used to show that mode mixing is enhanced by repeated passages over a cis-trans barrier. An attempt is made to isolate and attribute the sources of line broadening to the frequency of barrier crossings and the time gaps between recrossings.

引用

页码：166 / 174

页数：9

共 41 条

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