Vibrational energy transfer in diatom-triatom collisions

Abstract

A quantum-dynamical method is described for calculating exact vibrational transition probabilities for the fixed angle scattering of a diatomic molecule with a linear triatomic molecule. The method can be used for any realistic diatom-triatom potential energy surface. Application of the technique is made to the collisions of N₂(u) with CO₂(v ₁ v ₂), where u is the vibrational quantum number of N₂ and v ₁ and v ₂ are the quantum numbers of the symmetric and asymmetric stretch vibrational modes of CO₂ respectively. Calculations are reported for several different potential energy surfaces. The results are used to investigate the dominant factors controlling the efficiency of the N₂(0) + CO₂(01) → N₂(1) + CO₂(00) near resonant process.