Stereo-dynamics of the exchange reaction H_a+LiH_b→LiH_a+H_b and its isotopic variants  

作　　者：翟红生 尹淑慧 

机构地区：[1]State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics,Chinese Academy of Science [2]Department of Physics,Dalian Maritime University

出　　处：《Chinese Physics B》2012年第12期503-510,共8页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China(Grant No.11105022);the Fundamental Research Funds for the Central Universities(Grant Nos.2011QN142 and 2012QN066)

摘　　要：The quasi-classical trajectory （QCT） method is used to calculate the stereo-dynamics of the exchange reaction Ha＋LiHb→LiHa＋Hb and its isotopic variants based on an accurate potential energy surface reported by Prudente et al. [Prudente F V, Marques J M C and Maniero A M 2009 Chem. Phys. Lett. 474 18]. The reactive probability of the title reaction is computed. The vector correlations and four polarization-dependent generalized differential cross sections （PDDCSs） at different collision energies are presented. The influences of the collision energy and the reagent rotation on the product polarization are studied in the present work. The results indicate that the product rotational angular momentum j′ is not only aligned, but also oriented along the direction perpendicular to the scattering plane. The product polarization distributions of the title reaction and its isotopic variants exhibit distinct differences which may arise from different mass combinations.The quasi-classical trajectory （QCT） method is used to calculate the stereo-dynamics of the exchange reaction Ha＋LiHb→LiHa＋Hb and its isotopic variants based on an accurate potential energy surface reported by Prudente et al. [Prudente F V, Marques J M C and Maniero A M 2009 Chem. Phys. Lett. 474 18]. The reactive probability of the title reaction is computed. The vector correlations and four polarization-dependent generalized differential cross sections （PDDCSs） at different collision energies are presented. The influences of the collision energy and the reagent rotation on the product polarization are studied in the present work. The results indicate that the product rotational angular momentum j′ is not only aligned, but also oriented along the direction perpendicular to the scattering plane. The product polarization distributions of the title reaction and its isotopic variants exhibit distinct differences which may arise from different mass combinations.

关 键 词：quasi-classical trajectory reaction stereo-dynamics vector correlation reactive proba-bility 

分 类 号：O562.6[理学—原子与分子物理]