CN - In与He和Ar碰撞的振动猝灭
Vibrational Quenching of CN- in Collisions with He and Ar
摘要：
用新的三维势能面从头算方法计算了CN-与He和Ar原子碰撞的v = 1和v = 2态的振动猝灭截面和相应的低温速率常数.迄今为止，关于负离子与中性原子低能振动非弹性碰撞的研究工作很少。在与离子阱和天体化学模型有关的能量和温度下计算的截面和速率，由本计算发现甚至比类似的C2- /He和C2-/Ar系统的截面和速率更小，而这些系统又是那些存在于涉及中性氦原子系统的碰撞中的量级。我们发现在这种情况下，相当小的计算速率常数的影响进行了讨论，其可能的作用，在分子冷却的动力学和天体化学建模网络的演变。
英文摘要：
The vibrational quenching cross sections and corresponding low-temperature rate constants for the v = 1 and v = 2 states of CN- colliding with He and Ar atoms have been computed ab initio using new three dimensional potential energy surfaces. Little work has so far been carried out on low-energy vibrationally inelastic collisions for anions with neutral atoms. The cross sections and rates calculated at energies and temperatures relevant for both ion traps and astrochemical modelling, are found by the present calculations to be even smaller than those of the similar C2- /He and C2-/Ar systems which are in turn of the order of those existing for the collisions involving neutral diatom-atom systems. The implications of our finding in the present case rather small computed rate constants are discussed for their possible role in the dynamics of molecular cooling and in the evolution of astrochemical modelling networks.
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