Experimental and theoretical studies of the molecular core binding energies of some six-membered ring nitrogen heterocycles and their perchloro- and perfluoro-derivatives

Abstract

The molecular core binding energies of pyridine, pyridazine, pyrimidine and pyrazine and their perchloro- and perfluoro-derivatives have been measured by means of ESCA. The results are interpreted in terms of all valence electron CNDO/2 SCF MO calculations.