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

Abstract

This work presents an experimental and theoretical investigation about the influence of the dopant in the electropolymerization of α-tetrathiophene. Adherent, insoluble, and black polymeric films were obtained in the presence of LiClO 4, while no evidence about the formation of polymer was detected with LiCl and LiBr electrolytes. On the other hand, quantum mechanical calculations based on the density functional theory were performed on 1:1 charge-transfer complexes formed by α-tetrathiophene and X = ClO 4, Cl or Br. The consistency between experimental and theoretical results is discussed.