Quantum Dynamics of the HO plus CO → H + CO2 Reaction on an Accurate Potential Energy Surface

Full-dimensional quantum dynamics of the HO + CO -> H + CO2 reaction is investigated on a recent global potential energy surface based on a large number of ab initio points. The J = 0 reaction probability is small and essentially a monotonically increasing function with energy, super-imposed by overlapping resonances. The reactivity is considerably enhanced by OH vibrational excitation while relatively insensitive to CO vibrational excitation. The rate constant estimated by the J-shifting approximation indicates a much better agreement with experiment than that obtained on a previous potential energy surface.