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 

机构地区：[1]Institute of Atomic and Molecular Physics, Jilin University [2]Department of Physics, Dalian Jiaotong University

出　　处：《Chinese Physics B》2013年第8期394-398,共5页中国物理B（英文版）

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)

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.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.

关 键 词：STEREODYNAMICS quasi-classical trajectory polarization-dependent generalized differential crosssections 

分 类 号：O561[理学—原子与分子物理]