离子对生成反应的LCAC-SW量子散射理论研究

The Quantum Scattering Study for Ion pair Formation Reaction with LCAC SW Method

离子对生成反应微观动力学的理论和实验研究有助于从本质上揭示气相、液相及上层空间大气化学反应机理．实验上已经发展到用激光－交叉分子束技术研究其态－态过程；理论上则主要是采用准经典轨迹法．由于这类反应是电子非绝热过程，涉及到共价态和离子态两个势能面及其耦...

LCAC SW method has been extended to study the reaction dynamics for ion pair formation processes. M+X 2M ++X - 2 reaction system involves two potential energy surfaces, i. e., the covalence state(M+X 2) and the ionic state(M ++X - 2) and their crossing effect. The working equations for calculating state to state probability have been derived based on the above two state model. The selected state reaction probabilities of collinear ion pair formation process M+I 2M ++I - 2(M=Na, K, Cs) on Aten Lanting Los two state potential energy surface have been calculated. The results show that the reaction probabilities are of resonance effect.