Spectra and photophysics of new organic fluorophores: 2,3-Di(phenylethenyl)benzofuran derivatives

Ivan Baraldi, Enrico Benassi, Serena Ciorba, Marija Šindler-Kulyk, Irena Škorić, Anna Spalletti

Research output: Contribution to journalArticlepeer-review

39 Citations (Scopus)


Conformations, spectra and photophysics of a series of new organic fluorophores, 2,3-distyrylbenzofuran derivatives, have been studied by a combined theoretical and experimental approach. Ground electronic state geometries have been investigated by Hartree-Fock ab initio methods and Density Functional Theory. Electronic spectra have been calculated with the CS INDO S-CI and SDT-CI procedures. Spectral and photophysical behaviour has been investigated by stationary and time-resolved techniques. Solvatochromism of these compounds has been analyzed. The UV-vis absorption spectra of the substituted compounds are very similar, showing a red shift in the series H < Cl < OCH3 < NH2 < NO2. The CS INDO CI analysis of the electronic spectra of all rotamers shows coherence with the prevalent presence of one non-planar conformer. These compounds are very stable and show an intense and structured fluorescence indicating that the emitting state is the same as that reached by absorption, i.e. the

Original languageEnglish
Pages (from-to)61-67
Number of pages7
JournalChemical Physics
Issue number1-2
Publication statusPublished - 30 Jun 2009
Externally publishedYes


  • Absorption and emission spectra
  • Distyrylbenzofurans
  • Fluorophores
  • Fluorosolvatochromism
  • Intramolecular charge transfer states
  • Molecular quantum mechanics
  • Photophysics

ASJC Scopus subject areas

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

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