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The electronic structure, solvatochromism, and electric dipole moments of new Schiff base derivatives using absorbance and fluorescence spectra

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Abstract

The electronic structure and electronic transitions of four new mono Schiff base derivatives are interpreted by using absorption and fluorescence spectra including 28 different solution medium. Electrical dipole moments have been found by means of four different quantum mechanical methods based on solvatochromic shifts like Lippert–Mataga, Bakhshiev, modified Bilot–Kawski, and Reichardt methods. Quantitative researches of solvent-solute interactions are done by using Kamlet–Taft and Catalan parameters. In absorption and fluorescence spectra, bathochromic shift occurs with dispersion-polarization forces effect. The electronic transitions and electronic structure of these molecules have changed to dependent on solvent medium property. HOMO, LUMO, MEP, and SAS were calculated using B3LYP/6-311G(d,p) level of theory. Solvatochromism, photophysical properties, and electronic structure were discussed in detail. The dipole moments in ground-state and excited-state have not almost change.

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Acknowledgements

The authors greatly acknowledge the support of Bitlis Eren University, Scientific and Technological Application and Research Center. The authors greatly thank Bitlis Eren University for supporting this study by Gaussian 09 W and GaussView 5.0 software.

Funding

This work was financially supported by Bitlis Eren University Research Foundation. Project number: BEBAP-2014.05.

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Authors and Affiliations

  1. Department of Physics, Faculty of Arts and Science, Bitlis Eren University, 13000, Bitlis, Turkey

    Yadigar Gülseven Sıdır & İsa Sıdır

  2. Department of Physics, Science Institute, Bitlis Eren University, 13000, Bitlis, Turkey

    Cebrail Aslan

  3. Department of Chemistry, Faculty of Science, Anadolu University, 26470, Eskişehir, Turkey

    Halil Berber

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  1. Yadigar Gülseven Sıdır
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  2. Cebrail Aslan
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Sıdır, Y.G., Aslan, C., Berber, H. et al. The electronic structure, solvatochromism, and electric dipole moments of new Schiff base derivatives using absorbance and fluorescence spectra. Struct Chem 30, 835–851 (2019). https://doi.org/10.1007/s11224-018-1228-8

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