Zero-field splitting of the lowest excited triplet state in thiophene oligomers. An experimental and theoretical investigation

M. Bennati, A. Grupp, M. Mehring, K. Nemeth, P. R. Surjan, P. Bäuerle

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

The lowest photoexcited triplet state of thiophene oligomers (nT) with n = 2 - 8 has been investigated by pulsed EPR spectroscopy. The characteristic EPR lineshape is analyzed by performing spectral simulations. The determined D values decrease with increasing chain length showing a linear dependence on the inverse chain length. Furthermore conformational effects have been observed. We compare the results with theoretical calculations of the zero-field splitting parameters. The calculations are based on a semiempirical 'one electron per site' model including electron-electron interactions. The computed D values are in excellent agreement with the EPR data. The chain length dependence of D could be rationalized by computing electron spin densities and bond length distortions, which clearly indicate that the triplet excitation reaches a finite extention over about four thiophene rings.

Original languageEnglish
Pages (from-to)607-608
Number of pages2
JournalSynthetic Metals
Volume84
Issue number1-3
Publication statusPublished - Jan 1 1997

Keywords

  • Electron spin resonance
  • Excited states
  • Oligothiophenes

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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