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 journalArticle

36 Citations (Scopus)

Abstract

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
Volume361
Issue number1-2
DOIs
Publication statusPublished - 30 Jun 2009
Externally publishedYes

Fingerprint

Fluorophores
Electronic states
electronic spectra
Density functional theory
Conformations
Absorption spectra
Fluorescence
Derivatives
Geometry
red shift
density functional theory
absorption spectra
fluorescence
geometry
electronics
benzofuran

Keywords

  • 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

Cite this

Spectra and photophysics of new organic fluorophores : 2,3-Di(phenylethenyl)benzofuran derivatives. / Baraldi, Ivan; Benassi, Enrico; Ciorba, Serena; Šindler-Kulyk, Marija; Škorić, Irena; Spalletti, Anna.

In: Chemical Physics, Vol. 361, No. 1-2, 30.06.2009, p. 61-67.

Research output: Contribution to journalArticle

Baraldi, Ivan ; Benassi, Enrico ; Ciorba, Serena ; Šindler-Kulyk, Marija ; Škorić, Irena ; Spalletti, Anna. / Spectra and photophysics of new organic fluorophores : 2,3-Di(phenylethenyl)benzofuran derivatives. In: Chemical Physics. 2009 ; Vol. 361, No. 1-2. pp. 61-67.
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