Electronic Structures of Oligomers of Pyrrole
The electronic structures of oligomers of pyrrole have been calculated using the extended Hückel tight-binding program. The energy diagrams are shown for oligomers as the number of the repeating unit in the oligomers increases from 1 to 16. The relationship between the energy gap of the oligomers and the number of the repeating unit in the oligomers is established. Blue-green photoluminescence and electroluminescence from one-dimensional polypyrrole are predicted.
Yuan Ming Huang
B. G. Zhai et al., "Electronic Structures of Oligomers of Pyrrole", Materials Science Forum, Vols. 663-665, pp. 658-661, 2011