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X-ray diffraction, magnetochemical, and quantum chemical study of the structure and properties of binuclear copper(II) complexes

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Abstract

The binuclear chelates of copper(II) based on the tridentate azomethine ligands were synthesized and characterized by elemental analysis, IR, 1H NMR spectroscopy, X-ray absorption spectroscopy (XANES and EXAFS), and magnetic measurements. The quantum-chemical study of the structure and calculation of magnetic properties of the obtained metal-chelates was performed using the density functional theory with the broken symmetry technique. The performed magnetochemical studies in the temperature range 2–300 K suggest the existence of antiferromagnetic exchange interaction in all obtained complexes. The parameters of the exchange interaction −2J > 260 cm−1 were determined experimentally for all compounds, the experimental data is in a good agreement with the results of quantum-chemical calculations.

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Authors and Affiliations

  1. Research Institute of Physical and Organic Chemistry, Southern Federal University, ul. Stachki 194/2, Rostov-on-Don, 344090, Russia

    S. A. Nikolaevskii, A. S. Burlov, I. S. Vasilchenko & A. I. Uraev

  2. Institute “International Tomography Center,” Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

    A. S. Bogomyakov

  3. Research Institute of Physics, Southern Federal University, Rostov-on-Don, Russia

    V. G. Vlasenko

  4. Southern Scientific Center, Russian Academy of Sciences, Rostov-on-Don, Russia

    D. A. Garnovskiy, A. G. Starikov & S. I. Levchenkov

  5. National Research Centre “Kurchatov Institute,”, Moscow, Russia

    Ya. V. Zubavichus

Authors
  1. S. A. Nikolaevskii
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  2. A. S. Burlov
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  3. A. S. Bogomyakov
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  4. V. G. Vlasenko
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  5. D. A. Garnovskiy
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  6. A. G. Starikov
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  7. Ya. V. Zubavichus
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  8. I. S. Vasilchenko
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  9. S. I. Levchenkov
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  10. A. I. Uraev
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Correspondence to S. A. Nikolaevskii.

Additional information

Original Russian Text © S.A. Nikolaevskii, A.S. Burlov, A.S. Bogomyakov, V.G. Vlasenko, D.A. Garnovskiy, A.G. Starikov, Ya.V. Zubavichus, I.S. Vasilchenko, S.I. Levchenkov, A.I. Uraev, 2012, published in Zhurnal Obshchei Khimii, 2012, Vol. 82, No. 11, pp. 1778–1784.

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Nikolaevskii, S.A., Burlov, A.S., Bogomyakov, A.S. et al. X-ray diffraction, magnetochemical, and quantum chemical study of the structure and properties of binuclear copper(II) complexes. Russ J Gen Chem 82, 1770–1776 (2012). https://doi.org/10.1134/S1070363212110047

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  • DOI: https://doi.org/10.1134/S1070363212110047

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