碰撞能对反应Sr+CH3I→SrI+CH3的立体动力学影响

摘要

采用准经典轨线方法，基于半经验的 London-Eyring-Polanyi-Sato势能面，研究了碰撞能对碰撞反应Sr+CH3I→SrI+CH3的立体动力学性质的影响。结果表明，反应物的初始碰撞能对产物转动角动量矢量的取向和定向程度都有重大影响。%Based on semiemperical London-Eyring-Polanyi-Sato (LEPS) potential energy surface (PES), stereodynamic prop-erties of the reaction Sr+CH3I→SrI+CH3 in different initial reagent collision energies are studied theoretically by using the quasiclassical trajectory method. The results indicate that the collision energy of reagent has considerable influences on the orientations and alignments of angular momentum of products for the title reaction.