Role of Ring Torsion Angle in Polyaniline: Electronic Structure and DefectStates. (Reannouncement with New Availability Information)

摘要

The role of phenyl-ring torsion angle in determining the nature of the ground andcharged-defect states of polyaniline is explored. The coupling of the transfer integral between nitrogen atom and phenyl-ring constituents of the polyaniline chain to the dihedral angle of the rings competes with the substantial steric repulsion between adjacent rings in determining the conformation of these