AN ADIABATIC-BEND FRANCK-CONDON MODEL FOR FINAL ROTATIONAL DISTRIBUTIONS IN THE H+H2O AND H+D2O REACTIONS

We report H-2 and OH rotational distributions for the H + H2O reaction, and HD and OD rotational distributions for the H + D2O reaction, using a model based on the adiabatic-bend theory of the reaction dynamics together with a Franck-Condon model to obtain the rotational distributions. A realistic, six-degree-of-freedom potential is used to describe the four-atom reaction, and the bending eigenstates are accurately calculated using a direct-product basis of spherical harmonics for the two diatomic fragments.