THE POLY-POLYPHENANTHRENE FAMILY OF MULTI-PHASE PI-NETWORK POLYMERS IN A VALENCE-BOND PICTURE uri icon

abstract

  • A family of long polymer strips ranging from the extremes of polyacetylene to graphite are considered from a truncated valence-bond (VB) view. It is argued that several phases with different long range-ordering in electronic structure are possible. Calculations reveal that in some cases there should be nearly degenerate ground-state phases, with consequent low energy solitonic excitations. For the non-degenerate cases bound bisolitonic excitations should occur. Similarities and contrasts between VB and band-theoretic molecular-orbital views are noted. 1985.

published proceedings

  • CHEMICAL PHYSICS LETTERS

author list (cited authors)

  • KLEIN, D. J., SCHMALZ, T. G., HITE, G. E., METROPOULOS, A., & SEITZ, W. A.

citation count

  • 38

publication date

  • October 1985