H+OBr→HO+Br产物的散射和角动量取向  

Scattering and Angle Moment Orientation Study of Reaction Product H + OBr→HO + Br

作　　者：齐艳[1] 邹滨雁[1] 

机构地区：[1]大连交通大学理学院,辽宁大连116028

出　　处：《大连交通大学学报》2015年第4期113-116,共4页Journal of Dalian Jiaotong University

基　　金：国家自然科学基金资助项目(11404049)

摘　　要：用准经典轨线的方法对H+OBr→HO+Br反应产物的散射和产物角动量进行了研究.计算中的碰撞能为0.5、1.0、1.5、2.0 e V并且初始振转动能级为ν=0,j=0.结果显示,在四个碰撞能下的散射和产物角动量取向有不同的特点.同时从反应机理和势能面的角度分析了它们对碰撞能的影响.Quasiclassical trajectory calculations are performed to study the scattering and angle moment alignment of the product for the reaction H ＋ OBr→HO ＋ Br. The properties are investigated at differeut collision energies and on the rovibrational state of OBr ν = 0 and j = 0. It is found that the properties at the collision energies are significantly different. The theoretical findings and the roles of the collision energy are discussed and reasonably explained by the property of the PES and the reactive mechanism.

关 键 词：分子反应动力学 产物散射 产物角动量取向 QCT方法 

分 类 号：O643.1[理学—物理化学]