High resolution ultraviolet photoelectron spectra of C6H5X and p-C6H4X2 where X = Cl, Br or I

Abstract

The He(I) photoelectron spectra of monohalogeno- and paradihalogeno-benzenes are reported. Extensive vibrational structure has been observed for ionization from π and lone-pair orbitals and is analysed by reference to frequencies for the neutral molecule. Bands are associated with particular valence shell orbitals by use of ab initio SCF calculations and a simple semi-empirical model.