AB-INITIO STUDY ON THE PATHS OF PHOTODISS OCIATION OF KETENE

The state correlation diagrams were examinned for dehydrogenatic photo dissociation pathways of ketene by C-2v, C-s-bent in plane, and C-s-be nt out of plane models, respectivly. For the symmetry-allowed pathways ab initio calculations were carried out to determinne the reaction pa ths. The most possible path found is a diabatic photoreaction via C-s- bent in plane way along the potential energy surface of excited-state A '' and its potential barrier was determined to be 263.83kJ . mol(-1) .