Theoretical investigation of vibrational relaxation of highly excited O3 in collisions with HO2

Abstract

We report calculations of the relaxation process involving highly excited O₃ with vibrationally cold HO₂. The initial vibrational energies of O₃ between 9 and 21 kcal mol⁻¹ are considered. All calculations employ the quasi-classical trajectory method and the realistic double many-body expansion potential energy surface for HO₅(²A). Both the traditional histogram boxing and momentum Gaussian binning schemes are utilized in examining the energy transfer process, the latter for the first time in the case of triatomic fragments. The results indicate that it may notable in studying the stratospheric ozone budget.