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Electron structure and spectroscopic properties of yttrium compounds with cinnamic and quinaldic acids

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Abstract

The analysis of electron structure of yttrium(III) complexes with cinnamic and quinaldic acids was carried out. Electron transitions were assigned, and influence of the nature of frontier orbitals on the position of absorption bands in the electron spectra was revealed. The TD-DFT calculation has shown that different ratios of intensities of π–π* and n–π* bands in the electron absorption spectra of the compounds are caused by different natures of frontier orbitals of the complexes. It was found that dipole moments of both complexes increase upon photoexcitation, greater changes being observed in Y(III) quinaldate. The reason of the greater Stokes shift of Y(III) quinaldate was established.

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Authors and Affiliations

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

    T. B. Emelina, I. V. Kalinovskaya & A. G. Mirochnik

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  1. T. B. Emelina
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  2. I. V. Kalinovskaya
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  3. A. G. Mirochnik
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Correspondence to T. B. Emelina.

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Original Russian Text © T.B. Emelina, I.V. Kalinovskaya, A.G. Mirochnik, 2016, published in Zhurnal Obshchei Khimii, 2016, Vol. 86, No. 9, pp. 1524–1530.

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Emelina, T.B., Kalinovskaya, I.V. & Mirochnik, A.G. Electron structure and spectroscopic properties of yttrium compounds with cinnamic and quinaldic acids. Russ J Gen Chem 86, 2088–2094 (2016). https://doi.org/10.1134/S1070363216090188

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  • DOI: https://doi.org/10.1134/S1070363216090188

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