Electronic structure of polydithieno[3,4-b;3',4'-d]thiophene, a small bandgap conjugated polymer

C. Quattrocchi*, R. Lazzaroni, Jean-Luc Bredas, R. Zamboni, C. Taliani

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

We use a quantum chemical approach to investigate the chemical and electronic structure of polydithieno[3,4-b;3',4'-d]thiophene (PDTT'), for which the monomer unit possesses four potential linking sites on α carbon positions. Semiempirical Austin Model 1 (AM1) calculations are performed on oligomer systems, considering different types of connection between the DTT' units, to determine the most favorable chain conformation and the relative stabilities of the oligomer segments. The electronic properties of the corresponding polymers are calculated with the Valence Effective Hamiltonian (VEH) method and compared to the results of optical spectroscopy.

Original languageEnglish (US)
Pages (from-to)4399-4404
Number of pages6
JournalSynthetic Metals
Volume57
Issue number2-3
DOIs
StatePublished - Apr 19 1993

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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