近共振电子态和转动能量传递AB(~1∑,J) +C(~sl_j)→AB(~1∑,J′) +C(~sl_(j′))(英文)

1995年沙等在静态池实验中观测到了碰撞诱导转动传能中的量子干涉效应,并且测量到了决定跃迁截面幅值的积分干涉角(J .Chem.Phys.,1995,102 ,2772).同时,孙等在理论上计算了CO A1Π(v=0)~e3∑-(v=1)与He,Ne以及其它碰撞伴的碰撞体系的积分干涉角,建立了相应的理论模型.然而,以前的研究都局限在碰撞伴通常被认为是没有结构的粒子,但是在碰撞过程中相互碰撞的两个粒子都有内部角动量,自旋-轨道相互作用又对反应速率起着非常重要的影响,同时也能够影响反应势垒的高度,因此这种近似忽略了碰撞伴原子对整个碰撞体系得影响.基于这种考虑,在这篇文章中我们从理论上研究AB(~1∑,J) C(~sl_j)→AB(~1∑,J′) C(~sl_(j′))的碰撞诱导的电子态和转动态的能量传递,应用一级含时波恩近似、各向异性L-J相互作用势和直线轨迹近似,建立了理论模型.并讨论和比较了在近共振电子态和非共振电子态两种情况下的振动传能的跃迁几率.

Near resonant electronic and rotational energy transfer on AB(1

Collisonal quantuminterference(CQI)on rotational energy transfer was observed by Sha etal(J.Chem.Phys.,1995,102,2772)in static cell,and the integral interference angle whichdetermines the magnitudes of the transition cross sections was measured.And thetheoretical calculations of the CO A1Ⅱ(v=0)～e3∑-(v=1)system in collision with He,Ne and other partners were alsodone by Sun et al.,the theoretical model was presented.But,as studied previously,thepartner is usually considered as structureless.In this paper,to study theoretieally thecollision-induced electronic and rotational energy transfer of AB(1∑,J)+C(slj)→AB(1∑,J')+C(slj'),where each of the two colliding particles possessesinternal angular momentum,because the spin-orbit effects of atom are known to haveimportant effects on reaction rates,and they can influence the height of the barrier toreaction,a theoretically model is presented,based on the time dependent first order Bornapproximation,taking into account the Lennard-Jones interaction potentialand"straight-line"trajectory approximation.The transitional probabilities arecompared between that in the case of near resonant electronic and rotational energytransfer and that in the case of non resonant electronic and rotational energy transfer.