Experimental and Theoretical Studies of the Electronic Structure of Poly(p-phenylenevinylene) and Some Ring-Substituted Derivatives

M. Fahlman*, M. Logdlund, S. Stafstrtim, W. R. Salaneck, R. H. Friend, P. L. Burn, A. B. Holmes, K. Kaeriyama, Y. Sonoda, O. Lhost, F. Meyers, Jean-Luc Bredas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

65 Scopus citations

Abstract

The electronic structure of a conjugated polymer of current interest in organic LED's, poly-(p-phenylenevinylene), or PPV, has been studied by ultraviolet photoelectron spectroscopy and X-ray photoelectron spectroscopy. The focus of this work is on the nature of the η-electronic band structure nearest the Fermi level and the physical influence of finite torsion angles, the geometry of the polymer backbone, on the electronic properties of the system. Details of the η-electronic bands, as reflected in the associated density-of-states, are observed clearly in the spectra, from which some underlying geometrical details of the polymer system can be deduced. The experimental spectra have been analyzed theoretically using band structure calculations based upon the valence effective Hamiltonian (VEH) model. In addition, in order to control the band structure, three ring-substituted derivatives of PPV, each of which induces a different bonding geometry in the backbone, have been studied. The changes in the experimental results can be explained on the basis of both physical and chemical interactions of the substituents with the backbone, which lead to geometrical changes along the backbone, which influence the jr-bandwidths and contribute to differences in both the optical absorption threshold and the binding energy of the valence band edge.

Original languageEnglish (US)
Pages (from-to)1959-1965
Number of pages7
JournalMacromolecules
Volume28
Issue number6
DOIs
StatePublished - Nov 1 1995

ASJC Scopus subject areas

  • Organic Chemistry
  • Polymers and Plastics
  • Inorganic Chemistry
  • Materials Chemistry

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