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The electronic properties of several series of bridged oligomers and their co-oligomers derivatives of five-membered biheterocycles (bithiophene, bipyrrole, bifuran bridged by CO or CS group) in their linear and cyclic structures (planar rings and crowns), have been studied using Density Functional Theory (DFT) calculations. The stability of ring forms of bridged oligo(6)biheterocycles is evidenced...
Density functional theory (DFT) is applied to study the structure and electronic properties of oligomers based on bithiophene bridged by a sp 2 carbon substituted by a chalcogen atom (O, S, Se and Te), and their polybifurane and polybipyrrole analogues. The important reduction of the energy gap which is observed for the whole series of biheterocyclic compounds, when going down the chalcogen...
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