QCT Calculations of Reactions of F+LiH→LiF+H and F+LiD→LiF+D:Product Polarization and Isotope Effects

作     者：WANG Tao YUE Xian-Fang 王桃;岳现房

作者机构：School of Physics and Optoelectronic TechnologyDalian University of TechnologyDalian 116024 Department of Physics and Information EngineeringJining UniversityJining 273155 

出 版 物：《Chinese Physics Letters》 (中国物理快报（英文版）)

年 卷 期：2011年第28卷第2期

页      面：81-84页

核心收录：

学科分类：07[理学] 070202[理学-粒子物理与原子核物理] 0702[理学-物理学] 

基　　金：Supported by the National Natural Science Foundation of China under Grant No 21003062 

主　　题：scattering addition collision 

摘      要：Using the quasi-classical trajectory(QCT)method,the product polarization at the collision energy of 46 kcal/mol is investigated for the reactions of F+LiH(v=0,j=0)→LiF+H and F+LiD(v=0,j=0)→LiF+D on the 2A ground state potential energy surface(PES)[***.106(1997)1013).The distribution of P(θr),which represents the K and J correlation,the dihedral angle distribution of K-K -J P(φr),the angular distribution P(θr,φr)and the four PDDCSs[(2π/σ)(dσ00/dωt),(2πr/σ)(dσ20/dωt),(2π/σ)(dσ22+/dωt),(2π/σ)(dσ21-/dωt)]are presented and *** addition,isotope effects are *** results indicate that at the collision energy of 46 kcal/mol,with isotopic mass substitution,the orientation degree of LiF perpendicular to the scattering degree becomes stronger while the polarization degree of LiF perpendicular to K keeps almost *** addition,the angular distribution of LiF strongly prefers forward scattering.