The radical cation of bithiophene: An experimental and theoretical study

T. Keszthelyi, M. M L Grace, R. Wilbrandt, C. Svendsen, O. S. Mortensen

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The electronic absorption spectrum of the bithiophene radical cation prepared by γ-irradiation in a glassy Freon matrix is presented, together with the Raman spectra excited at 550 and 425 nm, in resonance with the two absorption bands. The 425 nm excited Raman spectrum was also recorded in a room temperature acetonitrile solution, in this case the radical cation was generated via a photoinduced electron transfer reaction. The resonance Raman spectra were interpreted with the help of density functional theory calculations. The results indicate the existence of at least two rotamers of the bithiophene radical cation. The time-domain method was applied to the simultaneous fitting of the absorption and resonance Raman spectra.

Original languageEnglish
Pages (from-to)393-396
Number of pages4
JournalLaser Chemistry
Volume19
Issue number1-4
Publication statusPublished - 1999

Fingerprint

Cations
Raman scattering
Theoretical Models
Positive ions
Raman spectra
cations
Chlorofluorocarbons
Absorption spectra
absorption spectra
freon
Acetonitrile
electronic spectra
Electrons
acetonitrile
Density functional theory
electron transfer
Temperature
Irradiation
density functional theory
irradiation

Keywords

  • Bithiophene
  • Molecular orbital calculations
  • Radical cation
  • Resonance Raman spectroscopy

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Electronic, Optical and Magnetic Materials

Cite this

Keszthelyi, T., Grace, M. M. L., Wilbrandt, R., Svendsen, C., & Mortensen, O. S. (1999). The radical cation of bithiophene: An experimental and theoretical study. Laser Chemistry, 19(1-4), 393-396.

The radical cation of bithiophene : An experimental and theoretical study. / Keszthelyi, T.; Grace, M. M L; Wilbrandt, R.; Svendsen, C.; Mortensen, O. S.

In: Laser Chemistry, Vol. 19, No. 1-4, 1999, p. 393-396.

Research output: Contribution to journalArticle

Keszthelyi, T, Grace, MML, Wilbrandt, R, Svendsen, C & Mortensen, OS 1999, 'The radical cation of bithiophene: An experimental and theoretical study', Laser Chemistry, vol. 19, no. 1-4, pp. 393-396.
Keszthelyi T, Grace MML, Wilbrandt R, Svendsen C, Mortensen OS. The radical cation of bithiophene: An experimental and theoretical study. Laser Chemistry. 1999;19(1-4):393-396.
Keszthelyi, T. ; Grace, M. M L ; Wilbrandt, R. ; Svendsen, C. ; Mortensen, O. S. / The radical cation of bithiophene : An experimental and theoretical study. In: Laser Chemistry. 1999 ; Vol. 19, No. 1-4. pp. 393-396.
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