Selective tuning of the band gap of π-conjugated dithieno[3,2-6: 2′,3′-d]phospholes toward different emission colors

Yvonne Dienes, Stefan Durben, Tamás Kárpáti, Toni Neumann, Ulli Englert, László Nyulászi, Thomas Baumgartner

Research output: Contribution to journalArticle

164 Citations (Scopus)


The systematic extension of the it-conjugated system of strongly blue-luminescent dithieno[3,2-b:2′,3′-d]phospholes has been investigated with the goal of obtaining different emission colors. Functionalization of the 2- and 6-position of the dithienophosphole scaffold with halogen substituents provided functional building blocks for subsequent cross-coupling experiments with various homo- and heteroaryls to selectively decrease the band gap of the materials. By this strategy materials with different emission colors ranging from green via yellow to orange could be obtained. This feature supports their suitability for organic light-emitting diodes with respect to an application in full-color flat-panel displays. The experimental results were nicely supported by theoretical DFT calculations providing a deeper understanding of the electronic structure in the extended materials, and also allowing for the design of future materials based on a dithienophosphole core. Furthermore, the phosphorus center in the extended molecular materials can efficiently be fine-tuned in subsequent simple chemical functionalizations. This allows for a tailoring of the optoelectronic properties of the extended dithienophospholes to suit the requirements of potential applications.

Original languageEnglish
Pages (from-to)7487-7500
Number of pages14
JournalChemistry - A European Journal
Issue number26
Publication statusPublished - Sep 24 2007


  • Cross-coupling
  • Density functional calculations
  • Luminescence
  • Organic electronics

ASJC Scopus subject areas

  • Catalysis
  • Organic Chemistry

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