Russian Journal of Coordination Chemistry

, Volume 43, Issue 1, pp 37–43

New copper(II) coordination compounds with 1,3-bis(5-(pyridin-2-yl)-1,2,4-triazol-3-yl)propane

  • A. N. Gusev
  • V. F. Shul’gin
  • I. N. Shcherbakov
  • K. A. Lysenko
  • V. V. Minin
  • I. L. Eremenko
Article

DOI: 10.1134/S1070328417010043

Cite this article as:
Gusev, A.N., Shul’gin, V.F., Shcherbakov, I.N. et al. Russ J Coord Chem (2017) 43: 37. doi:10.1134/S1070328417010043
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Abstract

Two new copper(II) complexes with 1,3-bis(5-(pyridin-2-yl)-1,2,4-triazol-3-yl)propane (H2L), [Cu2(HL)Cl3] · H2O (I) and [Cu(H2L)](ClO4)2 (II), were described. The compounds were characterized by elemental analysis, IR spectroscopy, and magnetochemical data. According to X-ray diffraction data (CIF files CCDC nos. 1497511 (I), 1497512 (II)), complex I is binuclear and the metal cations are bound by the nitrogen atoms of the triazole ring and by the chloride anion. Complex II is mononuclear. Analysis of the temperature dependence of the magnetic susceptibility of I attests to the antiferromagnetic coupling of paramagnetic centers (–2J = 18 cm–1). Exchange channels are analyzed by means of density functional theory (B3LYP/6-311G(d)) using the broken symmetry approach.

Keywords

1,2,4-triazoles copper(II) binuclear complexes X-ray diffraction exchange interaction quantum chemical calculations broken symmetry approach 

Copyright information

© Pleiades Publishing, Ltd. 2017

Authors and Affiliations

  • A. N. Gusev
    • 1
  • V. F. Shul’gin
    • 1
  • I. N. Shcherbakov
    • 2
  • K. A. Lysenko
    • 3
  • V. V. Minin
    • 4
  • I. L. Eremenko
    • 4
  1. 1.Vernadsky Crimean Federal UniversitySimferopolRussia
  2. 2.Southern Federal UniversityRostov-on-DonRussia
  3. 3.Nesmeyanov Institute of Organoelement CompoundsRussian Academy of SciencesMoscowRussia
  4. 4.Kurnakov Institute of General and Inorganic ChemistryRussian Academy of SciencesMoscowRussia

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