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Citation: ZHANG Zhi-Hong, CHEN Mao-Du, CONG Shu-Lin, HAN Ke-Li. Theoretical Study of Stereodynamics for the Reaction S(¹D)+D₂[J]. Acta Physico-Chimica Sinica, ;2006, 22(05): 557-561. doi: 10.3866/PKU.WHXB20060509 shu

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

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 Date: 2 November 2005
Available Online: 28 April 2006

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.
- Stereodynamics;Long-lived complex;Polarization-dependent differential cross section;Polarization parameter
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Theoretical Study of Stereodynamics for the Reaction S(1D)+D2

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通讯作者: 陈斌, bchen63@163.com

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