A combined theoretical and experimental investigation about the influence of the dopant in the anodic electropolymerization of α-tetrathiophene

This work presents an experimental and theoretical investigation about the influence of the dopant in the electropolymerization of α-tetrathiophene. The results derived from anodic polymerization of α-tetrathiophene using SCN−, Cl−, Br−, NO3-ClO3-andClO4- as dopant agents are compared with theoretical results provided by quantum mechanical calculations on 1:1 charge-transfer complexes formed by α-tetrathiophene and X = SCN, Cl, Br, NO3, ClO3 and ClO4. The consistency between experimental and theoretical results allows explain and rationalize the influence of the dopant in the electropolymerization of α-tetrathiophene.