THE TORSIONAL ENERGY-LEVELS OF ETHYLENE - INTERPRETATION IN TERMS OF 2 INTERNAL-MODES

被引：3
|
作者：
WALLACE, R
机构：
[1] Chemistry Department, University of Manitoba, Winnipeg
来源：
CHEMICAL PHYSICS | 1990年 / 141卷 / 2-3期
关键词：
D O I：
10.1016/0301-0104(90)87059-K
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：
A recently proposed explanation of an apparent discrepancy between the spectroscopically and thermodynamically determined torsional potential of the ethylene molecule is examined and found to be inadequate. Elaboration of the model, which involves coupling between two internal low-frequency large-amplitude degrees of freedom is carried out in terms of the generalized Jacobi vector (GJV) model to a point which involves a coupled states calculation. © 1990.
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页码：241 / 247
页数：7
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