Quantum scattering and quasi-classical trajectory calculations for the H-2+OH reversible arrow H2O+H reaction on a new potential surface

Six-dimensional (6D) quantum scattering calculations of reaction probabilit ies are reported for the OH + H2H2O + H reaction. An arrangement channel hy perspherical coordinate method is used. A new potential energy surface due to Ochoa and Clary is employed. The results agree well with those calculate d using the rotating bond approximation (RBA) and the quasi-classical traje ctory (QCT) method. 6D quantum, RBA and QCT calculations of rate constants for the OH + H-2 reaction agree well with experiment. In addition, RBA calc ulations of differential cross sections for the OH + D-2 --> HOD + D reacti on and the photodetachment spectrum for H3O- also agree well with experimen t. These results suggest that the new potential surface is reliable for thi s reason.