Stereodynamics Study of Li+HF/DF/TF→LiF+H/D/T Reactions on X 2 A' Potential Energy Surface
TAN Rui-Shan, LIU Xin-Guo** , HU Mei
College of Physics and Electronics, Shandong Normal University, Jinan 250014
Abstract :The product rotational polarizations of reactions Li+HF/DF/TF at different collision energies are calculated using the quasi-classical trajectory method based on a new potential energy surface constructed by Aguado and Paniagua [J. Chem. Phys. 119 (2003) 10088 ]. We investigate the P (θr ) distributions describing the k –j' correlation, the P (φr ) distributions describing the k –k' –j' correlation, and the four polarization-dependent generalized differential cross sections. Furthermore, we compare the influences of mass factor and collision energy in detail and find that the isotope substitution has more impact on the distribution of the product's angular momentum vectors than the collision energy.
收稿日期: 2012-10-08
出版日期: 2013-03-04
:
31.15.ap
(Polarizabilities and other atomic and molecular properties)
31.15.at
(Molecule transport characteristics; molecular dynamics; electronic structure of polymers)
34.50.Lf
(Chemical reactions)
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