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Prediction of electropolymerization mechanisms of two substituted phenylene: Poly‐3‐methoxy‐toluenes (P3mt 1 and P3mt 2 )
Author(s) -
Ayachi S.,
Bouzakraoui S.,
Hamidi M.,
Bouachrine M.,
Molinié P.,
Alimi K.
Publication year - 2006
Publication title -
journal of applied polymer science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.575
H-Index - 166
eISSN - 1097-4628
pISSN - 0021-8995
DOI - 10.1002/app.22640
Subject(s) - monomer , density functional theory , raman spectroscopy , phenylene , steric effects , materials science , polymerization , polymer chemistry , chemistry , computational chemistry , polymer , stereochemistry , physics , optics , composite material
P3mt 1 and P3mt 2 were electrochemically synthesized using two different electrolyte supports H 2 SO 4 and TEABF 4 , 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 13 C NMR) demonstrate that H 2 SO 4 or TEABF 4 could generate a homogenous or heterogeneous coupling site, respectively. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 100: 57–64, 2006