两体扰动势和H_2O通道反应的三原子体系解析势  

Perturbation Potential of Two-body and Analytic Potential of Three-atom Interaction for Pathway Reaction of H_2O

作　　者：张文霞[1] 田凤惠[1] 陈守刚[1] 王泽新[1] 

机构地区：[1]山东师范大学化学系,济南250014

出　　处：《物理化学学报》2003年第6期543-548,共6页Acta Physico-Chimica Sinica

基　　金：山东省自然科学基金资助项目(Y2002B09)~~

摘　　要：提出了两体扰动势的概念.通过两体扰动势构造多原子相互作用体系解析势的理论方法,获得了非线性三原子H2O相互作用体系的解析势函数.用势能面正确描述了O(1D)+H2→H2O→OH+H通道反应的性质.理论分析和实验结果非常符合.该方法比较容易推广构造多原子相互作用体系解析势.The concept of two-body perturbation potential was introduced in this paper, and a new theoretical method was offered for the analytic potential of three-atom interaction, which is constructed by perturbation potential of two-body. Using this method, the analytic potential function of H2O, which is a nonlinear three-atom interaction system, was obtained. The potential correctly described the character of pathways in the O(D-1) + H-2-->H2O-->OH + H reaction. The theoretical results are in well agreement with the experimental results. This method is easily extended to construct the analytic potential of four-atom interaction system.

关 键 词：两体扰动势 H2O 通道反应 三原子体系 解析 分子反应动力学 势能面 

分 类 号：O641.1[理学—物理化学]