Photophysical properties and excited state dynamics of 4,7-dithien-2-yl-2,1,3-benzothiadiazole

Physical Chemistry Chemical Physics : PCCP
Alessandro IagattiPaolo Foggi

Abstract

The relationships between the photophysics and structural properties of 4,7-dithien-2-yl-2,1,3-benzothiadiazole as a function of solvent polarity are investigated both experimentally and by computational methods. Stationary fluorescence measurements are consistent with a model envisaging the presence of three types of conformers in equilibrium in the ground state. They are characterized by different relative orientations of the thiophene rings. Due to a low rotational barrier, the sample in solution is characterized by a distribution of relative internal orientations. By applying the Kawski method, we evaluate the average dipole moment of ground and excited states of the three types of conformers. The ground state dipole moments are small and similar for the three types of conformers. On the contrary, dipole moments differ substantially in the excited state. X-ray diffraction of a single crystal confirms the presence of an orientational disorder of thiophene rings. Transient absorption UV-visible spectroscopy experiments allows the identification of the main mechanisms responsible for the large Stokes shift observed in this push-pull molecule. Time dependent spectra provide a picture of the relaxation processes occurring after ...Continue Reading

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Citations

Mar 1, 2019·Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology·Sofia CanolaFabrizia Negri
Jan 24, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Barbara PatriziMario Siciliani de Cumis
Jun 5, 2020·Journal of Fluorescence·Shivaprasadagouda PatilAshok H Sidarai
Apr 2, 2021·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Agnese MarcelliPaolo Foggi
Oct 14, 2021·Chemistry : a European Journal·Brenno A D NetoJohn Spencer

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