一维精确量子散射研究——H+ClH(u)在反应势能面上的振动去激

Collinear Exact Quantum Scattering Study ——Vibrational Deactivation of H+ClH(v) on a Reactive Potential Energy Surface

HCl化学激光中存在振动激发的HCl及游离的H和Cl,故HCl在H原子和Cl原子碰撞下振动弛豫速率过程的研究很重要。不久前我们报道了Cl原子对HCl碰撞去激的一维精确量子散射研究,本文用类似方法,讨论H原子对激发态的HCl的碰撞去激。

Collinear exact quantum method is used to study the vibrational deactivation process of H+ C1H(v≤3) on a newly-fitted ab initio potential energy surface. The reactive and nonreactive inelastic probabilities are obtained, which are found to oscillate with energy and exhibit some vibrationally nonadiabatic behavior. We conclude that, H atoms are not very efficient deactivators of vibrationally excited HC1, and in the producing vibrational deactivation the nonreactive inelastic mechanism dominates over the reactive one at lower energies while reactive collisions become more important if the energy is high enough. Many conclusions from this work are shown to be in qualitative agreement with those from some previous literatures.