AB-INITIO STUDY OF THE ELECTRONIC-STRUCTURE AND CONDUCTION PROPERTIESOF POLYARENEMETHIDES - A CLASS OF SOLITON SUPPORTING POLYMERS

Electronic structures and conduction properties of four members of the family of polyarenemethides have been studied using ab initio Hartree -Fock crystal orbital method. The calculated values of the band gap fo r all the polyarenemethides are found to be smaller than that of trans -polyacetylene (PA). All the polyarenemethides are predicted to be les s insulating than trans-PA in their intrinsic state. They are also pre dicted to be better candidates than trans-PA in forming highly conduct ing materials on doping with electron acceptors.