Ionization of corannulene and 1,6-dimethylcorannulene: photoelectron spectra, electrochemistry, charge transfer bands and ab initio computations

The ionization energies of corannulene and 1,6-dimethylcorannulene are measured by PES, voltammetry and UV charge transfer bands and are compared to values predicted by ab initio calculations via Delta SCF and Koopmans' theorem. (C) 2000 Published by Elsevier Science Ltd.