Nitrobenzenes: a comparison of pulse radiolytically determined one-electron reduction potentials and calculated electron affinities

Abstract

The electron affinities of a number of substituted nitrobenzenes have been calculated by a semiempirical quantum mechanical method HAM/3. Good correlation is found between the calculated electron affinities and one-electron reduction potentials measured by the pulse radiolysis technique. A comparison is also made between published experimentally measured electron affinities and the electron affinities calculated in this paper.