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

Topological rules are discussed which describe the behaviour of the electronic properties of different fused-ring polymers. A new polymer, polyisophenanthrene (poly [3-4,4-3]phenanthrene), is suggested which should have a smaller pp than polyphenanthrene (poly [1-2,2-1]phenanthrene). Ab initio crystal orbital calculations are presented on polyisophenanthrene and related fused-ring polymers in order to check the topological predictions and to judge on topologically unrelated systems.