Li+HF(v=0—3,j=0)→LiF+H反应的立体动力学理论研究  

Stereodynamics study of Li+HF (v = 0—3, j = 0)→LiF+H reaction

作　　者：谭瑞山[1] 刘新国[1] 胡梅[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：《物理学报》2013年第7期160-168,共9页Acta Physica Sinica

基　　金：国家自然科学基金(批准号:11274205;11274206)资助的课题~~

摘　　要：基于2003年Alfredo Aguado等人构造的新势能面(Aguado和Paniagua.J.Chem.Phys.,Vol.119,No.19,2003),本文结合振动激发和碰撞能两个因素,采用准经典轨线的方法对反应Li+HF(v=0—3)的k-j′两矢量相关和k-k′-j′三矢量相关的分布函数及极化微分反应截面进行了详细的立体动力学研究.结果表明,描述三原子分子反应的k-j′两矢量相关联的函数P(θr)分布不受振动激发影响,而碰撞能则对其影响较大.描述k-k′-j′三矢量相关的函数P(r)分布和极化微分反应截面对振动激发较敏感,同时我们发现碰撞能对P(Фr)分布和极化微分反应截面也有较大影响.The detailed stereodynamics of the reaction Li＋HF（v=0–3） with different collision energy and in different vibration-excited state has been carried out by using the quasi-classical trajectory （QCT） method based on a new potential energy surface constructed by Aguado and Pariagua （Aguado and Paniagua J. Chem. Phys., Vol. 119, No. 19, 2003）. The correlated k-j＇, k-k＇-j＇ angular distributions and the polarization-dependent differential cross sections （PDDCSs） are discussed in detail. The results indicate that the collision energy has more impact on the P（θr） distributions describing the k-j＇ correlation than the vibration excitation. The distributions of P（φr） describing the k-k＇-j＇ correlation, as well as the polarization-dependent generalized differential cross-sections, are sensitive to the vibration excitation. Meanwhile, the collision energy also has more influence on them.

关 键 词：矢量相关 立体动力学 准经典轨线方法 极化微分反应截面 

分 类 号：O643.1[理学—物理化学]