Russian Journal of General Chemistry

, Volume 82, Issue 11, pp 1770–1776 | Cite as

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

  • 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
Article

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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Copyright information

© Pleiades Publishing, Ltd. 2012

Authors and Affiliations

  • S. A. Nikolaevskii
    • 1
  • A. S. Burlov
    • 1
  • A. S. Bogomyakov
    • 2
  • V. G. Vlasenko
    • 3
  • D. A. Garnovskiy
    • 4
  • A. G. Starikov
    • 4
  • Ya. V. Zubavichus
    • 5
  • I. S. Vasilchenko
    • 1
  • S. I. Levchenkov
    • 4
  • A. I. Uraev
    • 1
  1. 1.Research Institute of Physical and Organic ChemistrySouthern Federal UniversityRostov-on-DonRussia
  2. 2.Institute “International Tomography Center,” Siberian BranchRussian Academy of SciencesNovosibirskRussia
  3. 3.Research Institute of PhysicsSouthern Federal UniversityRostov-on-DonRussia
  4. 4.Southern Scientific CenterRussian Academy of SciencesRostov-on-DonRussia
  5. 5.National Research Centre “Kurchatov Institute,”MoscowRussia

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