Reaction dynamics of O(1D)+HD.: I.: The insertion pathway

被引:66
作者
Hsu, YT
Liu, K
Pederson, LA
Schatz, GC
机构
[1] Acad Sinica, Inst Atom & Mol Sci, Taipei 10764, Taiwan
[2] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA
关键词
D O I
10.1063/1.480127
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 doubly differential cross sections (angle and speed) for the reactions O(D-1)+HD --> OH(OD)+D(H) at E-c=2.05 kcal/mol were directly mapped out using the Doppler-selected time-of-flight technique in a crossed-beam experiment. Except for the previously noted discrepancy in the H/D isotope branching ratio, good agreement with QCT (quasiclassical trajectory) results on a high quality ab initio surface are found for all dynamical features, including the product angular and translational energy distributions and the very detailed angle-specific translational energy release. (C) 1999 American Institute of Physics. [S0021-9606(99)00541-3].
引用
收藏
页码:7921 / 7930
页数:10
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