A suitable model for emeraldine salt.
A new mechanism for the formation of doped polyaniline is presented. Besides providing suitable structural and spectroscopic parameters, the new mechanism allows for the rationalization of the experimentally observed equilibrium between polaron and bipolaron defects in emeraldine salt. The magnetic behavior and the "metallic island" model for conduction in doped polyaniline are also theoretically supported by the new proposal.
Varela-Alvarez
Adrián
A
Laboratorio de Química Computacional, Departamento de Química Física y Analítica, Facultad de Química, Universidad de Oviedo, C/ Julián Clavería 8, 33006 Oviedo, Principado de Asturias, Spain.
Sordo
José A
JA