Insertion and abstraction pathways in the reaction O(1D2)+H2→OH+H

被引：85

作者：

Aoiz, FJ ^{[1
]}

Bañares, L

Castillo, JF

Brouard, M

Denzer, W

Vallance, C

Honvault, P

Launay, JM

Dobbyn, AJ

Knowles, PJ

机构：

[1] Univ Complutense Madrid, Fac Quim, Dept Quim Fis, E-28040 Madrid, Spain

[2] Phys & Theoret Chem Lab, Oxford OX1 3QZ, England

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

[4] SERC, Daresbury Lab, Dept Computat & Informat, Warrington WA4 4AD, Cheshire, England

[5] Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England

来源：

PHYSICAL REVIEW LETTERS | 2001年 / 86卷 / 09期

关键词：

D O I：

10.1103/PhysRevLett.86.1729

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Rigorous quantum dynamical calculations have been performed on the ground 1(1)A' and first ex cited 1(1)A " electronic states of the title reaction, employing the most accurate potential energy surfaces available. Product rovibrational quantum start populations and rotational angular momentum alignment parameters are reported, and are compared with new experimental, and quasiclassical trajectory calculated results. The quantum calculations agree quantitatively with experiment. and reveal unequivocally that the 1(1)A " excited state participates in the reaction.

引用

页码：1729 / 1732

页数：4

共 24 条

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