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Heteroligand Cu(II) Complexes with 2-Halogenopyridines: Crystal Structure and Features of Halogen⋯Halogen Contacts in the Solid State

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Abstract

By the reaction of a CuCl22H2O solution in ethanol with a 2-bromopyridine (2-BrPy) solution in ethanol heteroligand complex [Cu(2-BrPy)2(H2O)Cl2] (1) is obtained and its structure is determined by single crystal XRD. The energies of non-covalent halogen⋯halogen interactions in the crystal structures of 1 and previously obtained [Cu(2-ClPy)2(H2O)Cl2] (2) are estimated by quantum chemical calculations within the density functional theory at the M06/DZP-DKH level and the QTAIM topological analysis of the electron density distribution.

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Funding

The work was supported by RFBR (poject No. 20-33-70010 “Stability”).

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Authors and Affiliations

  1. Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

    S. A. Adonin & V. P. Fedin

  2. Tobolsk Industrial Institute, Tyumen Industrial University, Tobolsk, Russia

    S. A. Adonin, Yu. K. Smirnova & Z. R. Tushakova

  3. Southern Ural State University, Chelyabinsk, Russia

    S. A. Adonin

  4. Novosibirsk State University, Novosibirsk, Russia

    S. A. Adonin & V. P. Fedin

  5. St. Petersburg State University, St. Petersburg, Russia

    A. S. Novikov

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  1. S. A. Adonin
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Correspondence to S. A. Adonin.

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Russian Text © The Author(s), 2020, published in Zhurnal Strukturnoi Khimii, 2020, Vol. 61, No. 5, pp. 753–759.

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Adonin, S.A., Novikov, A.S., Smirnova, Y.K. et al. Heteroligand Cu(II) Complexes with 2-Halogenopyridines: Crystal Structure and Features of Halogen⋯Halogen Contacts in the Solid State. J Struct Chem 61, 712–718 (2020). https://doi.org/10.1134/S0022476620050066

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  • DOI: https://doi.org/10.1134/S0022476620050066

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