Effect of the heteroatom on the energies of the boundary molecular orbitals of dibenzo derivatives of five-membered heterocycles

Abstract

The effect of the heteroatom on the energy characteristics of their boundary molecular Orbitals was studied by investigation of the charge-transfer complexes (CTC) of the dibenzo derivatives of five-membered heterocycles. Tetramethyl-substituted dibenzo derivatives of five-membered heterocycles were investigated as electron donors, and their corresponding dianhydrides were investigated as electron acceptors. Their ionization potentials and electron affinities, respectively, were determined. From the regularities in the change in these characteristics it was concluded that replacement of one heteroatom by another leads to approximately identical energy shifts of both boundary molecular orbitals.