The reagent vibrational excitation effect on the stereodynamics of the reaction O(~1D)+HBr→OH+Br

作     者：张莹莹 石英 解廷献 金明星 胡湛 

作者机构：Institute of Atomic and Molecular Physics Jilin University Department of Physics Dalian Jiaotong University 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2013年第22卷第8期

页      面：394-398页

核心收录：

学科分类：07[理学] 070203[理学-原子与分子物理] 0702[理学-物理学] 

基　　金：supported by the Natural Science Fund from Jilin University,China(Grant No.419080106440) the Chinese National Fusion Project for ITER(GrantNo.2010GB104003) the National Natural Science Foundation of China(Grant No.10974069) 

主　　题：stereodynamics quasi-classical trajectory polarization-dependent generalized differential crosssections 

摘      要：Calculations on the dynamics of the reaction O（ 1 D） ＋ HBr --＋ OH Br are performed on the ab initio potential energy surfaces （PESs） of the ground state given by Peterson [Peterson K A J. Chem. Phys. 113 4598 （2000）] using the quasi classical trajectory （QCT） method. The product distribution of the dihedral angle, P （φr）, and that of the angle between k and j, P （Or）, are presented in three dimensions. Moreover, we also investigate the reagent vibrational excitation effects on the two polarization-dependent generalized differential cross sections （PDDCS）, PDDCS00 and PDDCS20, in the center- of-mass frame. The results indicate that the vector properties are sensitive to the reagent vibrational quantum number.