Journal of Physical Chemistry B, Vol.106, No.4, 767-772, 2002
Electronic structure of perylene pigments as viewed from the crystal structure and excitonic interactions
Perylene derivatives are industrially important pigments used not only as colorants, but also as materials for optical disks and photoconductors for electrophotographic photoreceptors. These pigments cover a variety of shades in the solid state from vivid red, via maroon to black, although their molecular absorption spectra are quite similar in solution. The color generation mechanism has therefore been investigated in three representative pigments (PR149, PR179, and PB31) with special attention to the crystal structure and intermolecular interactions. The color in the solid state is mostly determined by two absorption bands in the visible region: one is of molecular character and is due to nonresonance interactions, whereas the other is caused by interactions between transition dipoles. The red color (PR149) appears as a result of insignificant resonance interactions, whereas the colors of maroon (PR179) and black (PB31) are characterized by medium and strong interactions, respectively.