Influence of silicon atoms on the π-conjugation in electroluminescent polymers

Anna Fohl*, Jean Luc Brédas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

By means of the valence effective Hamiltonian (VEH) method, we calculated the electronic structure for a polymer containing poly(pana-phenylene vinylene) (PPV)and dimethoxy-poiy(para-phenylene) (PPP) units as well as silicon atoms used as spacers. The equilibrium geometry was obtained by an AMI calculation. We obtained a band gap of 32 eV, which corresponds to emittance in the blue part of the spectrum. This polymer is used as the active layer in light-emitting diodes.

Original languageEnglish (US)
Pages (from-to)437-440
Number of pages4
JournalInternational Journal of Quantum Chemistry
Volume63
Issue number2
DOIs
StatePublished - Jan 1 1997

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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