n(4s)h2相关反应的立体化学动力学研究.pdfVIP

2 4 应的产物极化程度对反应物初始振动态比H( S)+NH敏感；随着v的增加，N ( S) 2 +H v H( S)+NH 2 的散射程度对 的依赖性比 更强；两个反应的平均转动取向随 2 着v的增加有所增强；反应物初始转动态对H ( S)+NH 反应的产物转动角动量 4 （j′）沿垂直于 方向的取向的影响比较显著；而对j′定向的影响不如N ( S)+H k 2 4 2 明显；在整个转动激发态中N( S)+H2 反应主要是后向散射，而H( S)+NH反 4 2 应以侧向散射为主；整体来看，针对N( S)+H (v, j )→NH+H和它的逆反应H ( S) 2 2 +NH(v, j) →N+H ，反应物的转动激发对H( S)+NH(v ,j) →N+H 产物极化的 2 2 影响较大。 关键词：准经典轨线；产物转动角动量；定向；取向 II 4 Study on Stereodynamics of the N( S)+H Reactive System 2 Abstract Molecular reaction dynamics is a science of studying microscopic state and mechanism of chemical reaction in molecular and atomic level. To date, it has gotten into the state-to-state chemical dynamics.As a new branch of the reaction dynamics, stereochemistry dynamics discuss mainly the vector properties of reactions, and have attracted a lot of interest.Quasiclassical trajectory (QCT) method is one of important ways to investigate molecular reaction dynamics. The reactions involving nitrogen atom and hydrogen atom are of essential importance to the at