Additionally, both series display a clear trend of decreasing HOMO–LUMO gap with increasing oligomer length, consistent with enhanced π-conjugation and electronic delocalization along the molecular backbone. 71,146 The narrowing of the HOMO–LUMO gap is observed in all aromatic and quinoidal series, except for the n BTD and n BTDq series, which maintains a relatively constant band gap despite elongation.
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Interplay between diradical character, aromaticity and conductance in oligothiophenes.
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