Dynamics of the S(1D)+H2→SH+H reaction:: a quantitative description using an accurate quantum method

被引：50

作者：

Honvault, P ^{[1
]}

Launay, JM ^{[1
]}

机构：

[1] Univ Rennes 1, CNRS, PALMS, UMR 6627, F-35042 Rennes, France

来源：

CHEMICAL PHYSICS LETTERS | 2003年 / 370卷 / 3-4期

关键词：

D O I：

10.1016/S0009-2614(03)00132-5

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：

Accurate three-dimensional quantum-mechanical (QM) scattering calculations have been performed for the S(D-1) + H-2 --> SH + H reaction at a collision energy of 2.24 kcal/mol. The shape of the rotational distribution and the forward/backward symmetry found in the total differential cross section (DCS) are characteristic of an insertion reaction. The QM DCS agrees with the experimental angular distribution. QM calculations show the bimodal behaviour of the experimental product translational energy distribution, in contrast with recent quasi-classical trajectory calculations. (C) 2003 Elsevier Science B.V. All rights reserved.

引用

页码：371 / 375

页数：5

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