Prediction of electropolymerization mechanisms of two substituted phenylene: Poly‐3‐methoxy‐toluenes (P3mt1 and P3mt2)

Abstract

AbstractP3mt1 and P3mt2 were electrochemically synthesized using two different electrolyte supports H2SO4 and TEABF4, respectively. First, it was deduced from density functional theory (DFT) calculations that the electronic and steric effects govern polymerization mechanism of the radical monomers. Second, DFT combined with experimental spectroscopic analyses (ESR, Infrared, Raman, and 13C NMR) demonstrate that H2SO4 or TEABF4 could generate a homogenous or heterogeneous coupling site, respectively. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 100: 57–64, 2006