Soft X-ray spectroscopy study of electronic structure in the organic semiconductor titanyl phthalocyanine (TiO-Pc)

The electronic structure of the organic semiconductor titanyl phthalocyanine (TiO-Pc) has been investigated using synchrotron radiation-excited X-ray emission and absorption spectroscopies. The C and N K-edge spectra display similarities with those recorded from other metal-Pcs, while the O K-edge and Ti L-edge spectra support the premise that the titanyl species are spatially isolated. Good agreement is found between a calculation of the partial density of states and the measured spectra, although the Ti L-edge spectra differ from a previous study. Two energy loss features are reported from resonant X-ray inelastic scattering at the Ti L-edge associated with O 2p-Ti 3d* and N 2p-Ti 3d* charge transfer transitions.