基态H+LiH^+在宽域碰撞能下的反应动力学

H + LiH^+ Reaction Dynamics on Electronic Ground State in Wide Range Collision Energy

使用准经典轨线计算方法,研究了宽碰撞能范围下H+LiH^+反应动力学.反应几率和反应截面均显示这是一个没有阈能的反应.通道1(H+LiH^+→H_2+Li^+)和通道2(H+LiH^+→LiH^++H)之间的分支比随0.433 6到2.602 eV范围的碰撞能变化.所得到的H_2产物转动取向和角分布表明涉及两种反应模式:在不同的能量区域分别占主导地位的直接提取和间接插入模式.

Dynamics of H ＋ LiH ^＋ reaction is investigated by quasi-classical trajectory calculations in wide range collision energy. The reaction probability and cross section for the reaction are revealled that there is no threshold in this reaction. The branching ratio between Channel 1 （H ＋ LiH ^＋→H2 ＋ Li^ ＋ ） and Channel 2 （ H ＋ LiH^ ＋→ LiH ＋ ＋ H ） is varied over the collision energy range from 0. 433 6 to 2. 602 eV. The obtained H2 product rotational alignment as well as the angular distributions suggests two reaction mechanisms are involved, direct extraction and indirect insertion mechanisms dominant in different energy region.