ELECTRONIC-STRUCTURE AND CONDUCTION PROPERTIES OF POLY (PYRRYLENE VINYLENE) AND CHEMICALLY RELATED POLYMERS

The electronic structure and conduction properties of poly(pyrrylene-vinylene) (PPYV) and the chemically related copolymers (quasi-one-dimensional superlattices) of the type (AmBn)x (where A = pyrrole and B = vinylene) have been calculated in the tight binding approximation using the direct numerical approach. The electronic properties of PPYV are found to be intermediate between those of its homopolymers polypyrrole and trans - polyacetylene. The trends in the electronic structure and conduction properties of the copolymers (AmBn)x as a function of (i) composition (m/n) and (ii) block sizes m and n in the copolymer chain are discussed. It is shown that the results obtained are important guidelines for designing copolymers with tailor made conduction properties. © 1993 Academic Press. All rights reserved.