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Density functional theory study of UO 2+2 solvation in 1-butyl-3-methylimidazolium chloride

  • Theoretical Inorganic Chemistry
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Abstract

Structural characteristics and energies of [UO2Cl4(BMIm) n ](n–2)+ (n = 1-4) solvation complexes have been studied by the density functional theory (DFT) method in the SVWN5 local functional approximation.

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Authors and Affiliations

  1. Laboratory of Molecular Modeling of Chemical Processes and Compounds, Yugtekhinform Regional Interbranch Center, ul. Mira 71, Krasnodar, 350033, Russia

    V. Yu. Buz’ko

  2. Kuban State University, ul. Stavropol’skaya 149, Krasnodar, 350040, Russia

    V. Yu. Buz’ko & G. Yu. Chuiko

  3. Berbekov Kabardino-Balkarian State University, ul. Chernyshevskogo 173, Nal’chik, 360004, Russia

    Kh. B. Kushkhov

Authors
  1. V. Yu. Buz’ko
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  2. G. Yu. Chuiko
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  3. Kh. B. Kushkhov
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Correspondence to V. Yu. Buz’ko.

Additional information

Original Russian Text © V.Yu. Buz’ko, G.Yu. Chuiko, Kh.B. Kushkhov, 2016, published in Zhurnal Neorganicheskoi Khimii, 2016, Vol. 61, No. 3, pp. 338-344.

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Buz’ko, V.Y., Chuiko, G.Y. & Kushkhov, K.B. Density functional theory study of UO 2+2 solvation in 1-butyl-3-methylimidazolium chloride. Russ. J. Inorg. Chem. 61, 321–326 (2016). https://doi.org/10.1134/S0036023616030062

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  • DOI: https://doi.org/10.1134/S0036023616030062

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