Journal of Chemical Physics, Vol.100, No.9, 6969-6973, 1994
Intermolecular Energy-Band Dispersion in Oriented Thin-Films of bis(1,2,5-Thiadiazolo)-P-Quinobis(1,3-Dithiole) by Angle-Resolved Photoemission
Angle-resolved ultraviolet photoemission spectra using synchrotron radiation were measured for oriented thin films of bis(1,2,5-thiadiazolo)-p-quinobis(1,3-dithiole) (BTQBT) on graphite. From the photon energy dependence of normal emission spectra, the energy-band dispersion of rr-bands were observed for the highest (HOMO) and next highest (NHOMO) bands. This is the first observation of intermolecular dispersion in a single-component organic molecular crystal. The results demonstrate that the BTQBT molecules have a strong intermolecular interaction, which can be derived from the introduction of a covalent interaction between sulfur atoms in addition to the usual intermolecular interaction by van der Waals forces.