THEORETICAL DESIGN OF POLYMERS FROM TOPOLOGICAL ARGUMENTS - ELECTRONIC-PROPERTIES OF POLYISOPHENANTHRENE

Topological rules are discussed which describe the behaviour of the el ectronic properties of different fused-ring polymers. A new polymer, p olyisophenanthrene (poly [3-4,4-3]phenanthrene), is suggested which sh ould have a smaller pp than polyphenanthrene (poly [1-2,2-1]phenanthre ne). Ab initio crystal orbital calculations are presented on polyisoph enanthrene and related fused-ring polymers in order to check the topol ogical predictions and to judge on topologically unrelated systems.