Investigation of isotope effects of dynamic properties for H(D) + OF reactions by the quasi-classical trajectory method  

作　　者：赵娟 许燕 孟庆田 

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

出　　处：《Chinese Physics B》2010年第6期272-276,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);the National Basic Research Program of China (Grant No.2006CB806000);the Open Fund of the State Key Laboratory of High Field Laser Physics (Shanghai Institute of Optics and Fine Mechanics)

摘　　要：Quasi-classical trajectory （QCT） calculations are employed to study the dynamic properties for H（D）＋OF reactions on the adiabatic potential energy surface （PES） of the 1^3A″ triplet state. Obvious differences between the reaction probabilities for J=0, integral cross sections for J≠0, branch ratios of the product and internuclear distances as well as product rotational alignments between the title reactions axe found. These differences are attributed mainly to the different reduced masses of the reactants and the different zero-point energies （ZPEs） of the transition state.Quasi-classical trajectory （QCT） calculations are employed to study the dynamic properties for H（D）＋OF reactions on the adiabatic potential energy surface （PES） of the 1^3A″ triplet state. Obvious differences between the reaction probabilities for J=0, integral cross sections for J≠0, branch ratios of the product and internuclear distances as well as product rotational alignments between the title reactions axe found. These differences are attributed mainly to the different reduced masses of the reactants and the different zero-point energies （ZPEs） of the transition state.

关 键 词：isotope effects H（D）＋OF reactions quasi-classical trajectory 

分 类 号：O562.6[理学—原子与分子物理]