反应物振动激发对反应He+H_2^+→HeH^++H影响的准经典轨线研究  

A Quasi-Classical Trajectory Study on the Effect of Reagent Vibrational Excitation on the Reaction of He+H_2^+→HeH^++H

作　　者：孔浩[1] 刘新国[1] 许文武[1] 张庆刚[1] 

机构地区：[1]山东师范大学物理与电子科学学院,济南250014

出　　处：《物理化学学报》2009年第5期935-940,共6页Acta Physico-Chimica Sinica

基　　金：国家自然科学基金(10504017,10474060,10874104);教育部科学技术研究重点基金(206093);山东省自然科学基金(Z2007A05,Q2006A06)资助

摘　　要：基于PPA势能面(Palmieri,P.;Puzzarini,C.;Aquilanti,V.Mol.Phys.,2000,98:1835),运用准经典轨线(quasi-classical trajectory)方法,对反应He+H2+(v=0-2,j=0)→HeH++H的立体动力学性质进行了理论研究.结果表明,反应物振动激发对反应的k-j′两矢量相关和k-k′-j′三矢量相关分布都产生了较大影响.除此之外,极化微分反应截面对振动量子数v也非常敏感.We studied the dynamical stereochemistry of the He＋H2^＋（v=0-2,j=0）→HeH^＋＋H reactions using the quasiclassical trajectory （QCT） method on a PPA surface （Palmieri, P. ; Puzzarini, C.; Aquilanti, V. Mol. Phys., 2000, 98： 1835）. Results indicate that the reagent＇s vibrational excitation has a considerable influence on the distributions of the k-j＇correlation and the k-k＇-j＇ correlation. In addition, polarization dependent generalized differential cross-sections were found to be sensitive to the vibrational number.

关 键 词：矢量相关 极化微分反应截面 振动量子数 准经典轨线方法 

分 类 号：O641.1[理学—物理化学]