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. Surján, 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 1997

Fingerprint

Thiophenes
Thiophene
thiophenes
Chain length
oligomers
Oligomers
Excited states
atomic energy levels
Paramagnetic resonance
Electron-electron interactions
Electrons
Bond length
electron spin
electron scattering
electrons
Spectroscopy
rings
spectroscopy
simulation

Keywords

  • Electron spin resonance
  • Excited states
  • Oligothiophenes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Materials Chemistry
  • Polymers and Plastics

Cite this

Zero-field splitting of the lowest excited triplet state in thiophene oligomers. An experimental and theoretical investigation. / Bennati, M.; Grupp, A.; Mehring, M.; Nemeth, K.; Surján, P.; Bäuerle, P.

In: Synthetic Metals, Vol. 84, No. 1-3, 01.1997, p. 607-608.

Research output: Contribution to journalArticle

Bennati, M. ; Grupp, A. ; Mehring, M. ; Nemeth, K. ; Surján, P. ; Bäuerle, P. / Zero-field splitting of the lowest excited triplet state in thiophene oligomers. An experimental and theoretical investigation. In: Synthetic Metals. 1997 ; Vol. 84, No. 1-3. pp. 607-608.
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