Tuning of the electronic and optical properties of oligothiophenes via cyano substitution: A joint experimental and theoretical study

Frédéric Demanze*, Jérôme Cornil, Francis Garnier, Gilles Horowitz, Pierre Valat, Abderrahim Yassar, Roberto Lazzaroni, Jean-Luc Bredas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

66 Scopus citations

Abstract

Cyano-substituted bi- and terthiophene derivatives have been synthesized and characterized both electrochemically and optically. The experimental data are compared to the results of quantum-chemical calculations in order to rationalize the evolution of the frontier levels of the thiophene oligomers as a function of the number and position of the cyano substituents. This issue is of particular relevance in the context of organic light-emitting diodes and field-effect transistors to determine the substitution pattern required for the design of efficient electron-transporting (n-type) oligothiophene derivatives. The experimental and theoretical results demonstrate that the cyano functionalization allows for a fine-tuning of the electronic and optical properties of the thiophene compounds.

Original languageEnglish (US)
Pages (from-to)4553-4558
Number of pages6
JournalJournal of Physical Chemistry B
Volume101
Issue number23
StatePublished - Jun 5 1997

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

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