碰撞能对K(^(2)S)+HF(X^(1)Σ^(+))→KF(X^(1)Σ^(+))+H(^(2)S)反应的影响

Effect of Collision Energy on the Stereodynamics of the Reaction K(^(2)S)+HF(X^(1)Σ^(+))→KF(X^(1)Σ^(+))+H(^(2)S)

基于Sayós等构建的基态势能面,运用准经典轨线方法对原子-分子反应K(^(2)S)+HF(X^(1)Σ^(+))→KF(X^(1)Σ^(+))+H(^(2)S)的立体动力学性质进行了研究.计算了该反应的极化微分反应截面、两矢量k⁃j'相关分布函数P(θ_(r))、三矢量k⁃k'⁃j'相关分布函数P(ϕ_(r))和空间分布函数P(θ_(r),ϕ_(r)).结果表明,产物KF的转动角动量j'不仅在垂直于反应物相对速度矢量k的方向上有强烈的取向效应,而且还定向于y轴的负方向,转动角动量j'敏感地依赖于碰撞能.

The stereodynamics of the atom-molecule reaction K(^(2)S)+HF(X^(1)Σ^(+))→KF(X^(1)Σ^(+))+H(^(2)S)was studied using quasi-classical trajectory method based on the potential energy surface constructed by Sayós et al.Four generalized polarization-dependent differential cross-sections[(2π/σ)(dσ00/dωt),(2π/σ)·(dσ20/dωt),(2π/σ)(dσ22+/dωt),(2π/σ)(dσ21-/dωt)],the distributions function[P(θ_(r))],the dihedral angle distribution function[P(ϕ_(r))]and the polar distriloution function[P(θ_(r),ϕ_(r))]are studied in detail.The results show that the rotational angular momentum j'of the product KF is not only strongly aligned along the direction perpendicular to k,but also oriented along the negative direction of the y axis.The orientation of j'depends very sensitively on the collision energy.