Chemical Physics Letters, Vol.531, 28-33, 2012
A multiquantum dataset for vibrational excitation and dissociation in high-temperature O-2-O-2 collisions
The Forced Harmonic Oscillator (FHO) model is applied to the production of a multiquantum dataset of V-T and V-D rates for O-2-O-2 collisions, for T = 100-100000 K. A simplified 1D O-2-O-2 intermolecular potential, accounting for long-range interactions, has been obtained through comparison of FHO and reference state-specific rates. A Morse potential with parameters alpha = 4 angstrom(-1) and E = 380 K provides the best fit between those. This potential has then been applied to the production of the overall multiquantum V-T and V-D rates, considering 47 vibrational levels. The resulting thermal dissociation rates agree remarkably well with experimental dissociation rates. (C) 2012 Elsevier B.V. All rights reserved.