Non-empirical LCAO–MO–SCF calculations with gaussian type functions on the aromaticity and anti-aromaticity of cyclopropenyl cation and anion
Abstract
Non-empirical LCAO–MO–SCF calculations with G.T.F. have been performed on cyclopropenyl cation and anion, respectively, to give numerical values for the aromaticity of the former and anti-aromaticity and barrier to inversion of the latter.