Electronic structure of disjoint diradical 4,4'-bis(1,2,3,5-dithiadiazolyl) thin films

Phys Chem Chem Phys. 2009 Dec 28;11(48):11432-6. doi: 10.1039/b916396d. Epub 2009 Oct 30.

Abstract

The electronic structure of the thiazyl diradical, 4,4'-bis(1,2,3,5-dithiadiazolyl) (BDTDA), has been investigated by ultraviolet photoemission spectroscopy. Stacked BDTDA dimers showed an energy band dispersion of about 0.3 eV for the highest occupied molecular orbital in the direction of the surface normal of the BDTDA solid film. The pi-orbital overlap between the stacked dimers therefore evolves into a quasi one-dimensional energy band along the dimer stacking direction.