物理化学学报 >> 2006, Vol. 22 >> Issue (08): 972-976.doi: 10.3866/PKU.WHXB20060813

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N(4S)+ NO(X2Π)→N2(X3Σg-)+O(3P) 反应的立体动力学研究

马建军;张志红;丛书林   

  1. 大连理工大学物理系 辽宁 大连 116024
  • 收稿日期:2006-01-27 修回日期:2006-03-25 发布日期:2006-08-04
  • 通讯作者: 丛书林 E-mail:shlcong@dlut.edu.cn

Stereodynamics Study of N(N(4S)+NO(XN(2Π)→N2(X3Σg-)+O(N(3P) Reaction

MA Jian-Jun;ZHANG Zhi-Hong;CONG Shu-Lin   

  1. Department of Physics, Dalian University of Technology Department of Physics, Dalian University of Technology Department of Physics, Dalian University of Technology
  • Received:2006-01-27 Revised:2006-03-25 Published:2006-08-04
  • Contact: CONG Shu-Lin E-mail:shlcong@dlut.edu.cn

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摘要： 采用准经典轨线方法研究了在不同碰撞能下，碰撞反应N(4S)+NO(X2Π)→ N2(X3Σg- )+O(3P)在两个最低势能面3A 和 3A'上产物与反应物之间的矢量相关. 结果表明，对于不同的碰撞能，在两个势能面上反应产物的转动取向展示了不同的特征和趋势. 随着碰撞能的增加，发生在3A 势能面上的反应主要受外平面机理支配，而发生在 3A' 势能面上的反应倾向于受内平面机理支配. 这些差异来自于两个势能面的不同构型.

关键词: 准经典轨线, 矢量相关, 立体动力学, 取向与定向, 碰撞反应

Abstract: The vector correlations between products and reagents for the reaction N(4S)+ NO(X2Π)→N2(X3Σg-)+O(3P) are studied by using quasiclassical trajectory (QCT) method at different collision energies on two lowest 3A and 3A' potential energy surfaces (PESs). The results indicate that the rotational polarizations of product N2 on the two PESs exhibit different characters and trends at different collision energies. As the collision energy increases the reaction occurred on the 3A PES is mainly dominated by out-of-plane mechanism, and that occurred on the 3A' PES tends to be dominated by in-plane mechanism. All these differences arise from the different constructions of the two PESs.

Key words: Quasiclassical trajectory, Vector correlations, Stereodynamics, Alignment and orientation, Collision reaction