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Intramolecular charge transfer and electronic absorption and luminescence spectra of fluoroquinolinones

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Abstract

TD-DFT study on the effect of donor and acceptor substituents on molecular orbital localization and charge distribution in fluoroquinolinone molecules showed that their photoexcitation is accompanied by electron density redistribution over particular fragments. Depending on the protolytic form, frontier molecular orbitals are localized on different fragments, whereas variation of substituents weakly affects localization of these orbitals.

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Authors and Affiliations

  1. Institute of Chemistry, Far East Branch, Russian Academy of Sciences, pr. 100-letiya Vladivostoka 159, Vladivostok, 690022, Russia

    A. V. Polishchuk, T. B. Emelina, E. T. Karaseva & V. E. Karasev

Authors
  1. A. V. Polishchuk
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  2. T. B. Emelina
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  3. E. T. Karaseva
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  4. V. E. Karasev
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Corresponding author

Correspondence to V. E. Karasev.

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Original Russian Text © A.V. Polishchuk, T.B. Emelina, E.T. Karaseva, V.E. Karasev, 2011, published in Zhurnal Obshchei Khimii, 2011, Vol. 81, No. 4, pp. 634–640.

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Polishchuk, A.V., Emelina, T.B., Karaseva, E.T. et al. Intramolecular charge transfer and electronic absorption and luminescence spectra of fluoroquinolinones. Russ J Gen Chem 81, 725–731 (2011). https://doi.org/10.1134/S1070363211040189

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  • DOI: https://doi.org/10.1134/S1070363211040189

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