ON THE C2H2I-ENERGY HYPERSURFACE - AN AB-INITIO STUDY( POTENTIAL)

The study of the C2H2I+ cation at several levels of ab initio theory r eveals the existence of four stationary points, three of them are char acterized as minima and another as a transition state; the 1-iodovinyl cation is the global minimum, the cyclic iodonium ion is very close i n energy to the 1-iodovinyl cation and the transition state connecting the 1-iodovinyl cation and the cyclic iodonium ion is very high in en ergy.