Acta Phys. -Chim. Sin. ›› 2006, Vol. 22 ›› Issue (05): 557-561.doi: 10.3866/PKU.WHXB20060509

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Theoretical Study of Stereodynamics for the Reaction S(1D)+D2

ZHANG Zhi-Hong;CHEN Mao-Du;CONG Shu-Lin;HAN Ke-Li   

  1. Department of Physics, Dalian University of Technology, Dalian 116023, P. R. China; State Key Laboratory of MolecularReaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, P. R. China
  • Received:2005-11-02 Revised:2005-12-13 Published:2006-04-28
  • Contact: CHEN, Mao-Du

Abstract: Stereodynamics for the S(1D)+D2 reaction have been studied at a collision energy of 22.18 kJ·mol-1 on an ab initio potential energy surface by using time-independent quantum reactive scattering theory. The calculated differential cross sections show forward/backward peaking with weakly asymmetry, which is in agreement with the quasiclassical and experimental results. The state-resolved polarization-dependent differential cross sections and polarization parameters show that the product polarization tends toward a less anisotropic distribution, which indicates existence of a long-lived complex during the reaction because of the existence of deep well on the potential energy surface.

Key words: Stereodynamics, Long-lived complex, Polarization-dependent differential cross section, Polarization parameter