Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally Excited

Abstract

We report a theoretical study of the title five-atom atmospheric reaction for vibrationally excited states of O2 over the range 18 ≤ v ≤ 27, and initial vibrational energies of HO2 over the range 36 ≤ Ev/kcalmol-1 ≤ 51. All calculations have employed the quasiclassical trajectory method and the realistic double many-body expansion potential energy surface recently reported for HO4(2A). The results indicate that it can be a potential source of ozone in the upper atmosphere.