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Structure of Copper(II) N-Methylbenzoylhydroxamate in the Crystalline State and in Solution

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Abstract

The geometrical structure of CuL2 (I), where L = R1N(O)–(O)CR2, R1 = Me, R2 = Ph, was studied by X-ray diffraction in the crystalline state and by stationary ESR spectroscopy in solution. In the crystalline state, I is a chain polynuclear complex. According to ESR data, in frozen solutions, complex I exists as three species, two being mononuclear and one being binuclear. The magnetic resonance parameters and concentrations of the species in frozen solutions were determined. The electronic structure of the complex with full geometry optimization of all systems was calculated in terms of the unrestricted density functional theory (DFT) method.

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Funding

This study was performed within the state assignment for the Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, in the field of fundamental research. The chemical synthesis was carried out within the state assignment for the Institute of Problems of Chemical Physics, Russian Academy of Sciences (no. AAAA-A19-119071190045-0).

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Authors and Affiliations

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

    A. V. Rotov, I. A. Yakushev, V. I. Zhilov, E. A. Ugolkova, N. N. Breslavskaya, N. N. Efimov & V. V. Minin

  2. Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow oblast, Russia

    A. B. Kornev

  3. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, Russia

    E. N. Timokhina

Authors
  1. A. V. Rotov
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  2. I. A. Yakushev
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  3. V. I. Zhilov
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  4. A. B. Kornev
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  5. E. A. Ugolkova
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  6. N. N. Breslavskaya
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  7. E. N. Timokhina
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  8. N. N. Efimov
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  9. V. V. Minin
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Corresponding author

Correspondence to N. N. Efimov.

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The authors declare that they have no conflicts of interest.

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Translated by Z. Svitanko

ADDITIONAL INFORMATION

This article is prepared for the memorial issue in tribute to the Corresponding Member of the Russian Academy of Sciences K.Yu. Zhizhin on his 50th birthday.

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Rotov, A.V., Yakushev, I.A., Zhilov, V.I. et al. Structure of Copper(II) N-Methylbenzoylhydroxamate in the Crystalline State and in Solution. Russ J Coord Chem 49, 350–356 (2023). https://doi.org/10.1134/S1070328423700562

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  • DOI: https://doi.org/10.1134/S1070328423700562

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