反应物振动量子数对O（1D）＋HBr→OH＋Br立体动力学影响的研究  

Influence of reagen vibration on the stereodynamics of the O（1 D）＋HBr→OH＋Br reaction

作　　者：许慎德 

机构地区：[1]山东省莒县第一中学,莒县276500

出　　处：《原子与分子物理学报》2015年第2期253-258,共6页Journal of Atomic and Molecular Physics

摘　　要：采用准经典轨线(QCT)方法计算了O(1D)+HBr→OH+Br反应体系的立体动力学反应.基于由Peterson(J.Chem.Phys.113(2000)4598)等人开发的基态势能面上,计算了反应的矢量相关性质,极角p(θ)r及方位角pφ()r以及空间角pθr,φ()r.此外我们还计算了极化微分反应截面(PDDCSs)的分布各矢量性质随各振动量子数变量的变化.结果表明反应受反应物振动量子数影响较大.The stereodynamics of the reaction O（ 1 D） ＋HBr→OH ＋Br have been calculated by means of the quasi-classical trajectory （ QCT） method on the ground potential energy surface constructed by Peterson et al . （113 （2000） 4598）.The product distributions of the angle between k and j′, P θr , and the dihedral angle P φr are presented .Moreover , we have also investigated the reagent vibrational excitation effect on the polari-zation-dependent generalized differential cross sections （ PDDCS） , in the center-of-mass frame .The results indicate that the reaction is sensitive to the reagent vibrational quantum numbers .

关 键 词：立体动力学 准经典轨线 产物转动取向 

分 类 号：O561.5[理学—原子与分子物理]