DFT study of conductive properties of three polymers formed by bicyclic furans

Density functional theory methods were employed to study the electronic, structural and conductive properties of classical bicyclic furans. In this paper, studies of monomers, oligomers and polymers of furo[3,4-b]furan, furo[2,3-b]furan and furo[3,2-b]furan are presented. To gain detailed information on conjugational degree, we selected the nucleus-independent chemical shift as a method for examining the changes in conjugational degree....