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Specific Features of Binding Bioactive Organic Molecules with the Metallic Matrix of Heteronuclear 3d-4f Structures Containing Soft and Hard Metallocenters Using the Nd(III)–Cu(II) Complex as an Example

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Abstract

The polynuclear alanine hydroximate metallamacrocyclic complex Nd(C8H7NO4)(H2O)[15-MCCu(II)Alaha-5](CH3COO) with the axial 3-hydroxy-4-pyridinone ligand is synthesized for the first time from the (3-hydroxy-2-methyl-4-oxo-4H-pyridin-1-yl) acetate ligand. The X-ray diffraction (XRD) (CIF file CCDC no. 2242224) and quantum chemical methods show that the interaction of ligand L with the Nd3+ ion retained due to ionic bonds with the oxygen atoms in the copper-containing metallamacrocyclic matrix results in the formation of axial bonds (having a covalent contribution) between Nd3+ and the dioxolene fragment of the pyridinone ligand. In topological and energy characteristics, these axial bond approach the bonds of Cu2+ with the amine nitrogen atoms of the alanine hydroximate metallamacrocycle.

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ACKNOWLEDGMENTS

XRD and NMR spectroscopy were carried out using the equipment of the Center for Collective Use at the Razuvaev Institute of Organometallic Catalysis (Russian Academy of Sciences) in the area of basic research. IR spectroscopy, and C,H,N analyses were carried out using the equipment of the Center for Collective Use of Physical Methods of Investigation at the Kurnakov Institute of General and Inorganic Chemistry (Russian Academy of Sciences) supported by the state assignment of the Kurnakov Institute of General and Inorganic Chemistry (Russian Academy of Sciences) in the area of basic research.

Funding

Quantum chemical calculations were performed by G.Yu. Zhigulin and supported by the Russian Science Foundation, project no. 22-73-00285 (https://rscf.ru/project/22-73-00285/).

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Authors and Affiliations

  1. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russia

    M. A. Katkova, G. Yu. Zhigulin, E. V. Baranov, G. S. Zabrodina, M. S. Muravyeva & S. Yu. Ketkov

  2. Privolzhsky Research Medical University, Nizhny Novgorod, Russia

    M. S. Muravyeva

  3. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, Russia

    I. G. Fomina & I. L. Eremenko

Authors
  1. M. A. Katkova
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  2. G. Yu. Zhigulin
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  3. E. V. Baranov
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  4. G. S. Zabrodina
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  5. M. S. Muravyeva
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  8. I. L. Eremenko
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Correspondence to M. A. Katkova.

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Translated by E. Yablonskaya

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Katkova, M.A., Zhigulin, G.Y., Baranov, E.V. et al. Specific Features of Binding Bioactive Organic Molecules with the Metallic Matrix of Heteronuclear 3d-4f Structures Containing Soft and Hard Metallocenters Using the Nd(III)–Cu(II) Complex as an Example. Russ J Coord Chem 49, 601–611 (2023). https://doi.org/10.1134/S107032842360047X

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