Model quantum study of the H2O+Cl→OH+HCl reaction

The Born–Oppenheimer-type separation between light and heavy nuclear motions is used in a model 3D quantum treatment of the H2O+Cl→HO+HCl reaction. In our model, the H-atom which is exchanged during the reaction is free from any constraint. The cross-sections obtained for various bending and local stretching quantum numbers of H2O are in agreement with previous calculations based on a very different model. The present result confirms that the H2O vibrational stretch energy enhances the reaction much more than vibrational bend energy.