H_2Cl^+(X^1A_1)体系的动力学研究

THE DYNAMICS FOR H2Cl+(X1A1) SYSTEM

应用准经典轨线方法对Ｈ２Ｃｌ＋（Ｘ１Ａ１）体系进行了动力学研究，得到了该体系三个反应通道的反应几率、反应截面和反应阈能，以及产物分子在各振、转态的布居分布．

The reaction dynamics of three reactive channels for H2Cl+ system have been investigated using the Monte Carlo quasiclassical trajectory approach.The relationship of cross section with relative translational energy of the reactants,threshold energy and the vibrational and rotational level population of products are discussed.It is obvious to see that there are vibrational population inversion of HCl level for exothermal reaction Cl+H+2(V=0,J=0)→HCl(V′,J′)+H+,normal population distribution of HCl level for proton exchange reaction H++HCl(V=0,J=0)→HCl(V′,J′)+H+.This calculation shows that the cross section for reaction H++HCl(V=0,J=0)→H+2(V′,J′)+Cl is so small that one can consider this reactive channel impossible.