K+I_2→K^+I_2^-离子对生成反应态-态几率与选态截面的量子散射理论研究  

Quantum Scattering Studies on the State-to-state Probabilities and Selected-state Cross Sections for Ion-pair Formation Process: K + I_2 →K^+ + I_2^-

作　　者：冯大诚[1] 蔡政亭[1] 邓从豪[1] 

机构地区：[1]山东大学理论化学研究室,济南250100

出　　处：《化学学报》1998年第10期956-959,共4页Acta Chimica Sinica

基　　金：国家自然科学基金(29673026);高校博士点基金资助项目

摘　　要：本文用Miller的S-矩阵变分法在Aten-Lanting-Los两态势能面上计算了K+I_2→K^++I_2^-电离反应的态-态几率和选态反应截面,结果表明了低电离阈能、几率的振荡行为及振动增强效应;电离截面随碰撞能及I_2振动量子数的变化规律与实验观测相吻合;The state-to-state probabilities and selected-state cross sections of ion-pair formation process K + I2→ K+ + I2-on Aten - Lanting - Los two - state potential energy surface have been calculated using Miller' s S-matrix variational approach. The results show that this ionization reaction has low threshold energy, oscillatory probabilities and enhanced-vibrational effect; ionization cros sections as a function of collision energy and the vibrational quantum number of molecule I2 are in agreement with experimental observations as well. Ionization mechanism has been discussed.

关 键 词：离子对生成反应 电离反应 动力学 钾离子 碘离子 

分 类 号：O613.44[理学—无机化学] O643.1[理学—化学]