DFT study of bridged oligo(bithiophene)s. Conformational analysis and opto-electronic properties

Ano: 2009 | Volume: 1 | Número: 2

Autores: Si Mohamed Bouzzine, Mohamed Hamidi, Mohammed Bouachrine

Palavras-chave: oligothiophene, bridging effect, dft, low band gap, donor acceptor polymer

Resumo Inglês:

In this paper, we have studied the conformational and opto-electronic
properties of several oligomers of bridged oligo(bithiophene)s (BTX)n , n=1 to 4 with (X:
CH2, SiH2, C=O, C=S and C=C(CN)2). The conformational analysis shows that the most
stable conformation is anti-planar conformation. The opto-electronic properties of the
octamer (OTX) lead us to suggest that this oligomer is a good model to reflect optoelectronic properties for the parent polymer.