Ouafae Ninisa, Mustapha Abarka
Abstract
The Polyfuran belong to an important class of conjugated systems whose electronic properties strongly improve under doping. In the present paper, theoretical analysis of the molecules of oligofurans has been reported. The methodology adopted is based on DFT (B3LYP/ 6-31(G) (d) calculations. The electronic, electrochemical and absorption properties were determined for the studied compounds. Strong agreement between estimated properties and available experimental data sustains use of this computational method.