Design of polymers with metallic properties: Substituted polyperylene and poly(p-phenylene)

A design of novel synthetic polymers possessing metallic properties is studied on the basis of the one-dimensional tight-binding self consistent field-crystal orbital (SCF-CO) method. The idea presented here is to utilize crossing π bands of polyperylene (PP) and poly(p-phenylene) (PPP) by controlling the number of π electrons in the polymer skeletons. It is suggested that nitrogen-substituted PP, nitrogen-substituted PPP and boron-substituted PPP can be candidates for showing intrinsic metallic properties.