Quasi-classical rate constants for the inelastic process O2(vi ≫ 1) + O2 → O2(vf) + O2

Abstract

Rate constants have been calculated using quasi-classical trajectories (QCT) for the vibrational relaxation of highly excited O2: O2(X 3Σg -, vi) + O2(X 3Σg -, 0) → O2(X 3Σg -, vf) + O2(X 3Σg -), with 22 ≤ vi ≤ 28. The present full-dimensional QCT results agree very well with recent quantum reduced dimensionality calculations, giving further support to the hypothesis that the observed experimental jump in depletion rates would be due partially to enhanced vibrational relaxation.