Influence of rotational excitation and collision energy on the stereo dynamics of the reaction:N(~4S)+H_2 (v=0,j=0,2,5,10)→NH(X^3Σ^-)+H

作     者：于永江 徐强 徐秀玮 

作者机构：School of PhysicsLudong University 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2011年第20卷第12期

页      面：217-226页

核心收录：

学科分类：07[理学] 070203[理学-原子与分子物理] 0702[理学-物理学] 

基　　金：supported by the Natural Science Foundation of Shandong Province of China (Grant No. Z2008A02) 

主　　题：quasi-classical trajectory method vector correlation differential cross section 

摘      要：The N＋H2 reaction has attracted a great deal of attention from both the experimental and the theoretical community, and most of the attention has been paid to the first excited state N （2 D） atoms in collisions with hydrogen molecules and the scalar properties of the reaction. In this paper, we study the stereo dynamical properties and calculate the reaction cross sections of the N（4S） ＋ H2 （v=0, j=0, 2, 5, 10） → NH（X3∑-） ＋ H using the quasi-classical trajectory （QCT） method on an accurate NH2 potential energy surface （PES） reported by Poveda and Varandas [Poveda L A and Varandas A J C 2005 Phys. Chem. Chem. Phys. 7 28671, in a collision energy range of 25 ***-1 -140 ***-1. Results indicate that the reactant rotational excitation and initial collision energy both have a considerable influence on the distributions of the k-j＇ correlation, the k-k＇-j＇ correlation and k-k＇ correlation. The differential cross section is found to be sensitive to collision energy.