Grozdanov Tasko P, McCarroll Ronald
Institute of Physics, University of Belgrade , Pregrevica 118, 11080 Belgrade, Serbia.
Laboratoire de Chimie Physique-Matière et Rayonnement, (UMR 7614 du CNRS), Sorbonne Universités, Université Pierre et Marie Curie , 75231 Paris Cedex 05, France.
J Phys Chem A. 2017 Jan 12;121(1):40-44. doi: 10.1021/acs.jpca.6b11449. Epub 2016 Dec 20.
A simple model potential is proposed to describe the dynamical barrier in the mean interaction potential at small distances between the reactants in S(D) + HD(Σ, v = 0, j = 0) reaction. The statistical theory of collision complex formation and complex decay is applied to calculate the total reaction cross sections and the cross sections for SH and SD productions in the range of low collision energies E = (0.4-60) meV. The results are compared with measured cross sections and results of hyperspherical close coupling calculations. As a check of consistency the same comparisons are presented for the case of S(D) + H(Σ, v = 0, j = 0) reaction.
提出了一个简单的模型势来描述S(D)+HD(Σ, v = 0, j = 0)反应中反应物在小距离时平均相互作用势中的动力学势垒。应用碰撞复合物形成和复合物衰变的统计理论来计算低碰撞能量E=(0.4 - 60)meV范围内的总反应截面以及SH和SD产生的截面。将结果与测量的截面以及超球紧密耦合计算的结果进行了比较。作为一致性检验,还给出了S(D)+H(Σ, v = 0, j = 0)反应情况下的相同比较。