Theoretical study of stereodynamics for the O（3P） ＋ H2 → OH ＋ H reaction  

作　　者：刘世莉 石英 

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

出　　处：《Chinese Physics B》2011年第1期333-338,共6页中国物理B（英文版）

基　　金：Project supported by Jilin University,China(Grant No.419080106440)

摘　　要：This paper employs the quasi-classical trajectory calculations to study the influence of collision energy on the title reaction on the potential energy surface of the ground 3A1 triplet state developed by Rogers et al. （J. Phys. Chem. A 2000 104 2308）. It calculates the product angular distribution of P（θr）, P（Фr） and P（θr, Фr） which reflects vector correlation. The distribution P（Фr） shows that product rotational angular momentum vectors ：j＇ of the products are strongly aligned along the relative velocity direction k. The distribution of P（Фr） implies a preference for left-handed product rotation in planes parallel to the scattering plane. Four different polaxisation-dependent cross-sections are also presented in the centre-of-mass frame. Results indicate that OH is sensitively affected by collision energies of H2.This paper employs the quasi-classical trajectory calculations to study the influence of collision energy on the title reaction on the potential energy surface of the ground 3A1 triplet state developed by Rogers et al. （J. Phys. Chem. A 2000 104 2308）. It calculates the product angular distribution of P（θr）, P（Фr） and P（θr, Фr） which reflects vector correlation. The distribution P（Фr） shows that product rotational angular momentum vectors ：j＇ of the products are strongly aligned along the relative velocity direction k. The distribution of P（Фr） implies a preference for left-handed product rotation in planes parallel to the scattering plane. Four different polaxisation-dependent cross-sections are also presented in the centre-of-mass frame. Results indicate that OH is sensitively affected by collision energies of H2.

关 键 词：quasi-classical trajectory polarisation-dependent generalised differential cross-sections STEREODYNAMICS 

分 类 号：O561[理学—原子与分子物理]