转动激发对O+HBr→OH+Br反应的立体动力学性质的准经典轨线理论研究  

Quasi-classical trajectory approach to the influence of the rotational excitation on the stereodynamics of the reaction O+HBr—>OH+Br

作　　者：李红[1] 郑斌[1] 孟庆田[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》2012年第15期177-182,共6页Acta Physica Sinica

基　　金：国家自然科学基金(批准号:11074151);国家重点基础研究发展计划(批准号:2011CB808100);开放式的强场激光物理国家重点实验室(上海光学精密机械研究所)资助的课题~~

摘　　要：基于Peterson得到的a6 initio势能面,运用准经典轨线方法研究了转动激发对O+HBr→OH+Br反应动力学矢量性质的影响.讨论了当碰撞能为0.3 eV时不同转动量子数情况下的极化微分散射截面以及描述k-j'两矢量相关和k-k'-j'三矢量相关的分布函数p(θ_r)和p(φ_r).计算结果表明:随着转动量子数的增加,产物的转动极化减弱,而且产物的前向散射占主导地位.Quasi-classical trajectory method is used to investigate the influence of rotational excitation on the vector properties of the dynamics for the reaction O＋HBr→OH＋Br based on the ab initio potential energy surface.At the collision energy 0.3 eV,we discuss the polarization-dependent differential cross sections,the distribution P（θ_r） describing k-j’ correlation,and the distribution P（φ_t） describing k-k’-j’ correlation.The calculated results suggest that the product rotational polarization becomes weaker as the rotational quantum number increases and the products are mainly forward scattered.

关 键 词：转动激发 矢量相关 O+HBr反应 准经典轨线 

分 类 号：O643.1[理学—物理化学]