DFT study of bridged oligo(bithiophene)s. Conformational analysis and opto-electronic properties
oleh: Si Mohamed Bouzzine, Mohamed Hamidi, Mohammed Bouachrine
| Format: | Article |
|---|---|
| Diterbitkan: | Universidade Federal de Mato Grosso do Sul 2009-08-01 |
Deskripsi
<div align="justify">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 opto-electronic properties for the parent polymer. </div>