Journal of Chemical Physics, Vol.101, No.4, 2779-2784, 1994
A Study of Hoco Resonances in the Oh+co-)Co2+h Reaction
Quasibound states of the HOCO intermediate in the reaction OH+CO-->H+CO2 are studied by means of the stabilization method. A reduced-dimensionality model is used. The calculated resonance positions and lifetimes agree well with previous quantum scattering calculations. Most of the quasibound states can be assigned approximately to a vibrational excitation in the higher frequency OH vibration and different progressions in the HO-CO stretching mode. Some interesting mode-specific effects in the dynamics of the unimolecular decay are predicted.
Keywords:NEGATIVE ACTIVATION-ENERGIES;CURVED ARRHENIUS PLOTS;CO2-HI COMPLEXES;4-ATOM REACTIONS;TRANS-HOCO;OH;CO;SCATTERING;QUANTUM;OH+CO