原子与分子物理学报
原子與分子物理學報
원자여분자물이학보
CHINESE JOURNAL OF ATOMIC AND MOLECULAR PHYSICS
2012年
2期
211-215
,共5页
准经典轨线方法%积分散射截面%产物的振动分布%后向散射%转动取向
準經典軌線方法%積分散射截麵%產物的振動分佈%後嚮散射%轉動取嚮
준경전궤선방법%적분산사절면%산물적진동분포%후향산사%전동취향
quasi-classical trajectory method%product vibrational population%integral cross section%backward scattering%rotational alignment
在3A"势能面上,在散射能为14～20 kcal/mol的范国内,运用准经典轨线方法对O+DCl→ OD+Cl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.
在3A"勢能麵上,在散射能為14～20 kcal/mol的範國內,運用準經典軌線方法對O+DCl→ OD+Cl進行瞭動力學研究.我們髮現積分散射截麵隨著散射能的增加而增大,產物OD的振動分佈髮生瞭很彊的粒子數的反轉現象,且振動激髮較弱、轉動激髮較彊.後嚮散射居于主導地位,踫撞能的變化對產物轉動取嚮的影響不大.
재3A"세능면상,재산사능위14～20 kcal/mol적범국내,운용준경전궤선방법대O+DCl→ OD+Cl진행료동역학연구.아문발현적분산사절면수착산사능적증가이증대,산물OD적진동분포발생료흔강적입자수적반전현상,차진동격발교약、전동격발교강.후향산사거우주도지위,팽당능적변화대산물전동취향적영향불대.
Using quasi-classical trajectory method,we have studied the dynamical properties of O(3P)+ DCl→OD+ C1 reaction on the 3A" potential energy surface over the collision energy range of 14 ～20 kcal/mol.The integral cross section increases with the increase of the collision energy.Strongly inverted 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 product rotational alignment is also found.
