Some similarities between ionic states and excited states in the reaction potential surface

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Abstract
Recent ab initio calculations on the Li+He interaction potential by Krauss et al. show that the interaction between the excited Li atom in its 2P state and the ground state He atom is attractive and quite similar to the interaction potential between the cation Li+ and He. The idea of similar potential curves between a σ→π* type excited system and an ionic system is further applied to the ketone system for a qualitative study of the relative activation barriers for n,π* and π,π* states towards enolization reactions. The breakdown of the concepts of net charge dependence of the reaction activity and the deficiency of the CNDO method for the present type of interaction potential are discussed.