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

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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.

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Authors and Affiliations

  1. Vernadsky Crimean Federal University, ul. Vernadskogo 4, Simferopol, 295007, Russia

    A. N. Gusev & V. F. Shul’gin

  2. Southern Federal University, ul. Bol’shaya Sadovaya 105/42, Rostov-on-Don, 344006, Russia

    I. N. Shcherbakov

  3. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, ul. Vavilova 28, Moscow, 119991, Russia

    K. A. Lysenko

  4. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow, 119991, Russia

    V. V. Minin & I. L. Eremenko

Authors
  1. A. N. Gusev
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  2. V. F. Shul’gin
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  3. I. N. Shcherbakov
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  4. K. A. Lysenko
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  5. V. V. Minin
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  6. I. L. Eremenko
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Correspondence to A. N. Gusev.

Additional information

Original Russian Text © A.N. Gusev, V.F. Shul’gin, I.N. Shcherbakov, K.A. Lysenko, V.V. Minin, I.L. Eremenko, 2017, published in Koordinatsionnaya Khimiya, 2017, Vol. 43, No. 1, pp. 46–53.

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Gusev, A.N., Shul’gin, V.F., Shcherbakov, I.N. et al. New copper(II) coordination compounds with 1,3-bis(5-(pyridin-2-yl)-1,2,4-triazol-3-yl)propane. Russ J Coord Chem 43, 37–43 (2017). https://doi.org/10.1134/S1070328417010043

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  • DOI: https://doi.org/10.1134/S1070328417010043

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