Kazuyoshi Tanaka, T. Shichiri, M. Toriumi
Jun 1, 1989
Citations
0
Influential Citations
18
Citations
Journal
Synthetic Metals
Abstract
Abstract The polymerization process of pyrrole has been theoretically studied using the semiempirical molecular orbital (MO) method. As a model for the polymerization, particularly representing the initial-stage reaction near the anode of the electropolymerization system, the dimerization of pyrrole is examined by the process of coupling of two cationic monomer radicals in two specifically different ways, i.e. , via the σ-radical or via the π-radical. Furthermore, some related calculations are undertaken in connection with the reactions between cationic monomer and dimer radicals, and between a neutral monomer and a cationic monomer radical.