Studies of electronic structures of buspirone analogues by means of photoelectron spectroscopy

Abstract The photoelectron (PE) spectra of 14 molecules which are fragments of buspirone analogues have been recorded. The interpretation of bands between 7 and 11 eV has been carried out by means of a fragment-to-fragment approach and MNDO calculations. It is shown that a number of methylsubstituted derivatives have non-planar geometries. The corresponding torsion angles are evaluated by means of MNDO calculations. The PE spectra of these compounds are analysed up to 10 eV.