Stereodynamics Study of Li+HF→LiF+H Reactions on X^2A’ Potential Energy Surface at Collision Energies below 5.00 kcal/mol  

作　　者：李红征 刘新国 谭瑞山 胡梅 

机构地区：[1]School of Physics and Electronics,Shandong Normal University

出　　处：《Chinese Physics Letters》2015年第8期52-56,共5页中国物理快报（英文版）

基　　金：Supported by the National Natural Science Foundation of China under Grants No 11274205

摘　　要：The product rotational polarizations of reaction Li-SHF→LiF-kH at different collision energies, as well as at the different vibrational states and rotational states, are calculated by using the quasi-classical trajectory method based on a new potential energy surface constructed by Aguado et al. [J. Chem. Phys. 119（2003） 10088]. We investigate the Mignment and the orientation of the product molecule by calculating the P（θr, φr） distribu- tions describing polar angle distribution, the P（θr） distributions describing the k-j＇ correlation and the P（φr） distributions describing the k-k＇-j＇ correlation. We also explore the dependence of reaction probabilities and cross sections on the rotational and vibrational quantum number of the title reaction. It is concluded that the vibrational state has more important impact on the angular distribution, reaction probability and cross section.The product rotational polarizations of reaction Li-SHF→LiF-kH at different collision energies, as well as at the different vibrational states and rotational states, are calculated by using the quasi-classical trajectory method based on a new potential energy surface constructed by Aguado et al. [J. Chem. Phys. 119（2003） 10088]. We investigate the Mignment and the orientation of the product molecule by calculating the P（θr, φr） distribu- tions describing polar angle distribution, the P（θr） distributions describing the k-j＇ correlation and the P（φr） distributions describing the k-k＇-j＇ correlation. We also explore the dependence of reaction probabilities and cross sections on the rotational and vibrational quantum number of the title reaction. It is concluded that the vibrational state has more important impact on the angular distribution, reaction probability and cross section.

关 键 词：PES Stereodynamics Study of Li+HF Potential Energy Surface at Collision Energies below 5.00 kcal/mol LiF+H Reactions on X~2A 

分 类 号：O561.5[理学—原子与分子物理]