O+DC1→OD+Cl反应在~3 A″势能面上的动力学研究(英文)

The dynamics study of O(~3P)+DCl→OD+Cl reaction on the ~3A″potential energy surface

在3A11势能面上，在散射能为14-20kcal／mol的范围内，运用准经典轨线方法对0＋DCl→0D＋C1进行了动力学研究．我们发现积分散射截面随着散射能的增加而增大，产物OD的振动分布发生了很强的粒子数的反转现象，且振动激发较弱、转动激发较强．后向散射居于主导地位，碰撞能的变化对产物转动取向的影响不大．

Using quasiclassical trajectory method, we have studied the dynamical properties of 0（3 P）＋ DC1→OD＋C1 reaction on the 3AP＇ potential energy surface over the collision energy range of 1420 kcal/mol. The integral cross section increases with the increase of the collision energy. Strongly invert ed vibrational distributions and dominated backward scattering of OD are observed. OD products show rotationally hot and vibrationally cold distributions. Little influence of the collision energy on the prod uct rotational alignment is also found.