The fleeting existence of the classical vinyl cation structure

ABSTRACT

Using a hyperbolic function type-potential and Schrödinger’s equation transformed into a hypergeometric differential equation along with the results presented from an ab-initio CASSCF(10,11)/cc-pVTZ calculation we show that the potential well of the classical vinyl cation minimum is incapable of supporting a zero point vibrational motion for the protons. Furthermore, as opposed to the previously found transition state linking the classical and bridged vinyl cations, we suggest that it becomes a transition state for the interconversion or tautomerization of the bridged vinyl cation.