物理化学学报
物理化學學報
물이화학학보
ACTA PHYSICO-CHIMICA SINICA
2001年
6期
521-525
,共5页
蔡孟秋%唐璧玉%杨国伟%杨益明%韩克利
蔡孟鞦%唐璧玉%楊國偉%楊益明%韓剋利
채맹추%당벽옥%양국위%양익명%한극리
轨线计算%推广LEPS势能面%碰撞能量%转动取向
軌線計算%推廣LEPS勢能麵%踫撞能量%轉動取嚮
궤선계산%추엄LEPS세능면%팽당능량%전동취향
在推广 LEPS势能面上,用经典轨线方法,研究了反应碰撞能量对反应 Sr+ HF的转动取向的影响 .计算结果与产物轨道角动量模型进行比较 .计算结果表明,随着碰撞能量的增加,产物转动取向越强烈 .
在推廣 LEPS勢能麵上,用經典軌線方法,研究瞭反應踫撞能量對反應 Sr+ HF的轉動取嚮的影響 .計算結果與產物軌道角動量模型進行比較 .計算結果錶明,隨著踫撞能量的增加,產物轉動取嚮越彊烈 .
재추엄 LEPS세능면상,용경전궤선방법,연구료반응팽당능량대반응 Sr+ HF적전동취향적영향 .계산결과여산물궤도각동량모형진행비교 .계산결과표명,수착팽당능량적증가,산물전동취향월강렬 .
The trajectory calculations of the reaction Sr+ HF on the extended London-Eyring-Polanyi-Sato (LEPS) potential energy surface have been carried out to study the dependence of product rotational alignment on the collision energies. The calculated results for the reaction of Sr+ HF were compared with the predictions from the constrained product orbital angular momentum model. The final rotational angular momentum was found to be perpendicularly polarized with respect to the reagents′ relative velocity vector. The higher the collision energies are the more anisotropic is the distribution of the product rotational angular momentum vector.