ANHARMONICITY EFFECTS IN THE COLLINEAR COLLISION OF 2 DIATOMIC-MOLECULES

被引:24
作者
CHAPUISAT, X
BERGERON, G
机构
[1] Laboratoire de Chimie, Théorique1 1 Associated with the CNRS (ERA No. 549)., Université de Paris-Sud
关键词
D O I
10.1016/0301-0104(79)85023-5
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 collinear collision of two diatomic molecules is studied. Six different systems - namely N2 + N2, N2 + CO, N2 + OC, N2 + O2, H2 + H2, and H2 + HBr - are selected as samples and compared to each other. In addition, the effect of anharmonicity on the vibrational excitation is investigated. Exact quantum-mechanical transition probabilities are calculated, the Morse and harmornic binding potentials being considered in each case. It is shown that anharmonicity often decreases the TV transition probabilities by a large factor, whereas it has only a small effect on VV transition probabilities. The results are interpreted on the basis of previous ideas on atom-diatom and diatom-diatom collinear collisions. © 1979.
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页码:397 / 405
页数:9
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