Relaxation of Vibrationally Excited OH Radical by SO

Molecular
energy transfer in gas-phase collisions is of large interest
in kinetics models. Vibrational excitation and deactivation processes
can be concurrent with chemical reaction and/or sources of nascent
excited species. In the present work, a full-dimension quasi-classical
trajectory study of the vibrational deactivation of OH­(v′ = 1,5) in collisions with SO is presented. A global potential
energy surface for the ground electronic state of HSO2,
previously reported, is used to represent the interatomic interactions.
The specific initial-state OH deactivation cross section and the corresponding
SO activation cross sections are reported. Models for the maximum
impact parameter and excitation function are discussed, while some
details on the energy transfer mechanisms are also given. Specific
initial-state deactivation thermal rate coefficients and vibrational
average deactivation thermal rate coefficients are also presented
and compared to previous results in the literature.