BOND-SELECTED REACTION OF HOD WITH H-ATOMS

被引：102

作者：

CLARY, DC

机构：

[1] Department of Chemistry, University of Cambridge, Cambridge, CB2 1EW, Lensfield Road

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 192卷 / 01期

关键词：

D O I：

10.1016/0009-2614(92)85423-8

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：

Calculations of vibrationally state-selected cross sections are reported for the H + HOD --> H-2 + OD reaction. A quantum-mechanical method is used which involves a close-coupling expansion in all three vibrational modes of HOD. It is found that initial vibrational excitation of the OH bond in HOD enhances the reaction much more than excitation of the OD bond. The distributions of vibrational states in the H-2 + OD products are found to be closely correlated with the degree of vibrational excitation in the HOD reactant.

引用

页码：34 / 40

页数：7

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