Photoelectron spectra of dihydroxynaphthalenes

Abstract

The He I photoelectron spectra of six isomeric dihydroxynapthalenes were recorded. Open shell SCF-CI calculations for the respective radical cations were used to analyze the spectra by considering relative band intensities and by comparing the resulting spectra with that of other naphthalenes. Four bands below the 11 eV ionization energy were observed in the spectra, and the presence of the hydroxy group was found to lead to the destabilization of the π-orbitals with high charge densities. The ionization energies and the reliability of quantum chemical calculations are presented.