摘要
利用准经典轨线方法,在H3-PS势能面上研究了离子分子反应D-+H2→H-+HD的立体动力学性质.在不同碰撞能下分别计算了该反应的广义极化微分反应截面(PDDCS)、角分布P(θr),P(φr),P(θr,φr)以及产物转动取向参数<P2(j′.k)>.计算结果表明,随着碰撞能的增加,反应产物向后散射的趋势减弱,向前和侧向散射趋势增强,产物的转动角动量j′不仅具有取向而且定向于y轴负方向.对于所研究的三个碰撞能,反应产物都倾向于沿垂直散射平面的方向极化并且在平行于散射平面的平面内转动.
Using quasi-classical trajectory method,the stereodynamics of the ion-molecule reaction D-＋H2→H-＋HD have been studied on the potential energy surface of H-3.The generalized polarization dependent differential cross sections（PDDCS）,the angular distributions of P（θr）,P（r）,P（θr,r） and the product rotational alignment parameters 〈P2（j′·k）〉 are calculated at different collision energies,respectively.The results indicate that the probability of the backward scattering is decreased with the increase of collision energy,while that of the forward and sideway scattering is increased,the product rotational angular momentum j′ are not only aligned,but also oriented along the negative direction of the y-axis.For the three collision energies,the products are preferentially polarized perpendicular to the scattering plane and mainly rotated in planes parallel to the scattering plane.
出处
《鲁东大学学报（自然科学版）》
2010年第4期326-329,共4页
Journal of Ludong University:Natural Science Edition
基金
国家自然科学基金(11074103)
关键词
准经典轨线
立体动力学
极化
产物散射
quasi-classical trajectory
stereodynamicsolarizeroduct scattering
