Influence of reagent vibration on the stereodynamics of the Li+HF→LiF+H reaction  

作　　者：Li Shu-Juan Shi Ying Xie Ting-Xian Jin Min-Xing 李淑娟;石英;解廷献;金明星(Institute of Atomic and Molecular Physics,Jilin University,Changchun 130012,China;Department of Physics,Dalian Jiaotong University,Dalian 116028,China)

机构地区：[1]Institute of Atomic and Molecular Physics,Jilin University,Changchun 130012,China [2]Department of Physics,Dalian Jiaotong University,Dalian 116028,China

出　　处：《Chinese Physics B》2012年第1期158-162,共5页中国物理B（英文版）

基　　金：Project supported by Jilin University,China(Grant No.419080106440);the Chinese National Fusion Project for ITER(Grant No.2010GB104003);the National Natural Science Foundation of China(Grant No.10974069)

摘　　要：We investigate the influence of reagent vibration on the stereodynamics of the title reaction by the quasi-classmal trajectory on the Aguado-Paniagua2-potential energy surface developed by Aguado et al. （J. Chem. Phys. 1997 106 1013）. The cross sections and reaction probability as functions of the reagent vibration are calculated in the centre-of- mass frame. The product angular distributions of p（Фr）, p（Фr）, and p（Фr, Фr）, which reflect the vector correlation, are also presented and discussed. The results indicate that the vector properties are sensitively affected by the vibrational excitation.We investigate the influence of reagent vibration on the stereodynamics of the title reaction by the quasi-classmal trajectory on the Aguado-Paniagua2-potential energy surface developed by Aguado et al. （J. Chem. Phys. 1997 106 1013）. The cross sections and reaction probability as functions of the reagent vibration are calculated in the centre-of- mass frame. The product angular distributions of p（Фr）, p（Фr）, and p（Фr, Фr）, which reflect the vector correlation, are also presented and discussed. The results indicate that the vector properties are sensitively affected by the vibrational excitation.

关 键 词：quasi-classical trajectory vector correlation cross sections STEREODYNAMICS 

分 类 号：O621.25[理学—有机化学]