Effect of the reagent vibration on stereodynamics of the reaction O（^1D）＋HF→F＋OH  

作　　者：许燕 赵娟 岳大光 刘浩 郑晓云 孟庆田 

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

出　　处：《Chinese Physics B》2009年第12期5308-5312,共5页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China (Grant No 10574083);the Natural Science Foundation of Shandong Province of China (Grant No Y2006A23);partially by the National Basic Research Program of China (GrantNo 2006CB806000)

摘　　要：This paper studies the influence of the reagent vibration on the reaction O（1D）＋HF→HO＋F by using a quasiclassical trajectory method on the new ab initio 1A＇ ground singlet potential energy surface （Gomez-Carrasco et al 2007 Chem. Phys. Lett. 435 188 193）. The product angular distributions which reflect the vector correlation are calculated. Four polarization-dependent differential cross sections （PDDCSs） which are sensitive to many photoinitiated bimolecular reaction experiments are presented in the center of the mass frame, respectively. The differential cross section indicates that the OH product mainly tends to the forward scattering, and other PDDCSs are also influenced by the vibration levels of HF.This paper studies the influence of the reagent vibration on the reaction O（1D）＋HF→HO＋F by using a quasiclassical trajectory method on the new ab initio 1A＇ ground singlet potential energy surface （Gomez-Carrasco et al 2007 Chem. Phys. Lett. 435 188 193）. The product angular distributions which reflect the vector correlation are calculated. Four polarization-dependent differential cross sections （PDDCSs） which are sensitive to many photoinitiated bimolecular reaction experiments are presented in the center of the mass frame, respectively. The differential cross section indicates that the OH product mainly tends to the forward scattering, and other PDDCSs are also influenced by the vibration levels of HF.

关 键 词：vector correlation polarization-dependent differential cross section vibration of the reactant molecule quasi-classical trajectory 

分 类 号：O561[理学—原子与分子物理]