The search for resonance signatures in H+D2 reaction dynamics

被引:27
作者
Chao, SD [1 ]
Skodje, RT [1 ]
机构
[1] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA
基金
美国国家科学基金会;
关键词
D O I
10.1016/S0009-2614(01)00105-1
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
To investigate the recent report of the observation of a reactive resonance in the title reaction, we have calculated the ro-vibrationally state-resolved integral cross-sections (ICS) and differential cross-sections (DCS), as well as the vibrational branching ratios for the H + D-2(nu = j = 0) --> HD(nu',j') + D reaction. Oscillatory structure occurring in the state-to-state reaction probabilities does survive partial wave averaging to appear in the integral cross-sections for low j'-values, although not significantly for the j' = 7 state recently reported. The resonance picture interpretation of the oscillations is shown to be problematic. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:364 / 370
页数:7
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