过渡状态理论的发展及应用综述

Summary of Application And Evolution of the Transition State Theory

过渡状态理论是化学动力学上继碰撞理论的又一理论,是20世纪30年代由埃林等人在量子力学和统计力学发展的基础上提出的。理论的形成过程中曾引入一些假设和模型,意思是化学反应不是只通过简单碰撞就形成产物,而是经过一个以一定构型存在的过渡态。理论中势能面概念的提出引导人们从分子间作用的微观层次来考察化学反应的机理。这个理论的提出解决了该阶段上碰撞理论解决不了的问题。

The transition state theory is another theory that continues the collision theory on chemical dynamics. It is put forward on the basis of quantum mechanics and statistical mechanics development by Erin , etc. in the 1930s. Has introduced some assumptions and models in the forming process of the theory, it means the chemical reaction is not to form results only through the simple collision , but through a transition attitude existing with certain type. The proposition of the concept leads people to investigate the mechanism of the chemical reaction from the micro level on the function among the molecules the potential energy in the theory. The proposition of theory solves the problem that can not be solved by the collision theory.