Naslov
Structures, spectra and photophysics of new organic fluorophores: 2,3- and 2,5-di(phenylethenyl)furan

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

Izvornik
Chemical physics (0301-0104) 353 (2008), 1-3; 163-169

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
absorption and emission spectra ; di(phenylethenyl)furans ; fluorophores ; molecular quantum mechanics ; photophysics ; rotational isomerism

Sažetak
The rotational isomerism, electronic structure and photophysics of two new organic fluorophores, the 2, 3- and 2, 5-di(phenylethenyl)furan have been studied by a combined theoretical and experimental approach. The conformers of the ground electronic state have been investigated by Hartree-Fock ab initio methods and Density Functional Theory. The electronic spectra have been calculated with the CS INDO S-CI and SDT-CI procedures. The spectral and photophysical behaviour was investigated by stationary and time-resolved techniques. The more stable conformer was found to be the A rotamer in planar or quasi planar form. DFT calculations gave more planar structure than those obtained using HF methodology. The UV-Vis absorption spectrum of 2, 3-(PhE)2F is very similar to that of 3-cis- ,  -diphenylhexatriene. The CS INDO CI analysis of the electronic spectra of all rotamers, with particular attention to the cis peak, shows coherence with the presence of A conformer. These very stable compounds show a strong and structured fluorescence indicating that the emitting state is the same as that implied in the absorption process, singlet state. These new organic fluorophores may have very interesting applications as fluorescent probes, dye laser medium, scintillators and as -core for new push-pull polyenes

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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