Acta Phys. -Chim. Sin. ›› 2006, Vol. 22 ›› Issue (08): 972-976.doi: 10.3866/PKU.WHXB20060813

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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

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

MSC2000: 

  • O641.6