Time-dependent quantum dynamical study of C(1D)+H2→CH+H and S(1D)+H2→SH+H reactive collisions

被引:28
作者
Mouret, L [1 ]
Launay, JM [1 ]
Terao-Dunseath, M [1 ]
Dunseath, K [1 ]
机构
[1] Univ Rennes 1, CNRS, UMR 6627, Lab Phys Atomes Lasers Mol & Surfaces, F-35042 Rennes, France
关键词
D O I
10.1039/b404806g
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 time-dependent method is used to calculate reaction probabilities for J = 0 for C(D-1) + H-2 (v = 0, j = 0) --> CH( v', j') + H and S(D-1) + H-2 (v = 0, j = 0) --> SH (v', j') + H indirect reactive collisions. The state-to-state probabilities are dominated by a strong resonance structure associated with the formation of a long-lived triatomic complex during the collision. We compare our results with those obtained using a time-independent hyperspherical coordinates method. The agreement is very good: in particular, the narrow resonances obtained with the wave packet method correspond exactly to those of the time-independent results.
引用
收藏
页码:4105 / 4110
页数:6
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