Electronic and optical properties of polyfluorene and fluorene-based copolymers: A quantum-chemical characterization

J. Cornil, I. Gueli, A. Dkhissi, J. C. Sancho-Garcia, E. Hennebicq, J. P. Calbert, V. Lemaur, D. Beljonne, J. L. Brédas*

*Corresponding author for this work

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156 Scopus citations

Abstract

A detailed analysis of the electronic and optical properties of polyfluorene (F), polyfluorene ethylenedioxythiophene (FEDOT), and polyfluorene benzothiadiazole units (FBT) oligomers is discussed. It is shown that the strong localization of the LUMO level in FBT leads to pronounced changes in the shape of the excitons as well as in the efficiency of charge-transport and energy-transfer processes, in comparison to the properties obtained for polyfluorene chains. In contrast, the introduction of EDOT units in a polyfluorene backbone, while shifting the emission to the green as for FBT, keeps good energy and charge transfer properties.

Original languageEnglish (US)
Pages (from-to)6615-6623
Number of pages9
JournalJournal of Chemical Physics
Volume118
Issue number14
DOIs
StatePublished - Apr 8 2003
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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