ELECTRONIC-STRUCTURES OF SOME NOVEL FUNCTIONAL POLYMERS

The electronic and geometric structures of some novel donor-acceptor p olymers containing alternating electron donating group X (X=CH2, SiH2, S, O or NH) and electron accepting group Y (Y=>C=CH2, >C=O, >C=CF2 or >C=C(CN)(2)) along the conjugated cis-polyacetylene backbone, obtaine d on the basis of the one-dimensional tight-binding self-consistent fi eld-crystal orbital (SCF-CO) method at the MNDO-AM1 level of approxima tion, are presented.