基于一个新的势能面,运用准经典轨线方法对He+H2+(v=3,j=1)反应的立体动力学性质进行了理论研究。结果表明,积分截面与实验结果符合得很好,对于不同的碰撞能,产物HeH+表现出不同的极化特性,旋转角动量矢量不仅存在取向而且还存在定向效应。随着碰撞能的增大,产物HeH+趋向于前向散射。
We theoretically investigated the cubic dynamics characteristics of the reaction He + H2+ with quasi-classical trajectory (QCT) method and a new potential energy surface (PES). Results show that integral section fits well with the experimental results. Product Hell~ demonstrates different rotational polarization characteristics for different collision energies. Its rotational momentum vectors j' are not forward with the increase of angular only aligned, but also oriental. Product Hell +tends to be scattered collision energy.