A theoretical study of the dynamics of the O(D-1)+HD reaction at 0.196 eV collision energy: comparison with experimental results

Differential cross-sections for the O(D-1)+ HD reaction have been obtained from quasiclassical trajectory calculations performed on recent ab initio 1 A' and 1A " adiabatic potential energy surfaces. The calculations were carr ied out for the conditions of a recent crossed molecular beam experiment in which differential cross-sections were measured with partial state resolut ion in the internal states of the OH product. The simulation of the experim ental data with the results of the present calculations shows qualitative a greement with some noteworthy discrepancies. The comparison between theory and experiment does not provide any evidence for the contribution of the fi rst excited adiabatic potential energy surface to the reaction. (C) 1999 El sevier Science B.V, All rights reserved.