Synergism of primary and secondary interactions in a crystalline hydrogen peroxide complex with tin

Alexander G. Medvedev; Pavel A. Egorov; Alexey A. Mikhaylov; Evgeny S. Belyaev; Gayane A. Kirakosyan; Yulia G. Gorbunova; Oleg A. Filippov; Natalia V. Belkova; Elena S. Shubina; Maria N. Brekhovskikh; Anna A. Kirsanova; Maria V. Babak; Ovadia Lev; Petr V. Prikhodchenko

doi:10.1038/s41467-024-50164-9

Synergism of primary and secondary interactions in a crystalline hydrogen peroxide complex with tin

Alexander G. Medvedev, Pavel A. Egorov, Alexey A. Mikhaylov, Evgeny S. Belyaev, Gayane A. Kirakosyan, Yulia G. Gorbunova, Oleg A. Filippov, Natalia V. Belkova, Elena S. Shubina, Maria N. Brekhovskikh, Anna A. Kirsanova, Maria V. Babak^*, Ovadia Lev^*, Petr V. Prikhodchenko^*

^*Corresponding author for this work

Department of Chemistry

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

6 Citations (Scopus)

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Abstract

Despite the significance of H₂O₂-metal adducts in catalysis, materials science and biotechnology, the nature of the interactions between H₂O₂ and metal cations remains elusive and debatable. This is primarily due to the extremely weak coordinating ability of H₂O₂, which poses challenges in characterizing and understanding the specific nature of these interactions. Herein, we present an approach to obtain H₂O₂–metal complexes that employs neat H₂O₂ as both solvent and ligand. SnCl₄ effectively binds H₂O₂, forming a SnCl₄(H₂O₂)₂ complex, as confirmed by ¹¹⁹Sn and ¹⁷O NMR spectroscopy. Crystalline adducts, SnCl₄(H₂O₂)2·H₂O₂·18-crown-6 and 2[SnCl₄(H₂O₂)(H₂O)]·18-crown-6, are isolated and characterized by X-ray diffraction, providing the complete characterization of the hydrogen bonding of H₂O₂ ligands including geometric parameters and energy values. DFT analysis reveals the synergy between a coordinative bond of H₂O₂ with metal cation and its hydrogen bonding with a second coordination sphere. This synergism of primary and secondary interactions might be a key to understanding H₂O₂ reactivity in biological systems. © Crown 2024

Original language	English
Article number	5758
Journal	Nature Communications
Volume	15
Online published	9 Jul 2024
DOIs	https://doi.org/10.1038/s41467-024-50164-9
Publication status	Published - 2024

Funding

This work was supported by the Russian Science Foundation (grant no. 22-13-00426, https://rscf.ru/en/project/22-13-00426/). A.A.K. and M.V.B. acknowledge the support from the City University of Hong Kong (Project 7006013). O.L. acknowledges the Israel Science Foundation (grant number 1215/19) for financial support. The X-ray diffraction studies were performed using the equipment of the JRC PMR IGIC RAS. The NMR studies were performed using the equipment of the CKP FMI IPCE RAS. A.G.M. and P.V.P. acknowledge Dr. A.V. Churakov for helpful discussion.

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Medvedev, A. G., Egorov, P. A., Mikhaylov, A. A., Belyaev, E. S., Kirakosyan, G. A., Gorbunova, Y. G., Filippov, O. A., Belkova, N. V., Shubina, E. S., Brekhovskikh, M. N., Kirsanova, A. A., Babak, M. V., Lev, O., & Prikhodchenko, P. V. (2024). Synergism of primary and secondary interactions in a crystalline hydrogen peroxide complex with tin. Nature Communications, 15, Article 5758. https://doi.org/10.1038/s41467-024-50164-9

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title = "Synergism of primary and secondary interactions in a crystalline hydrogen peroxide complex with tin",

abstract = "Despite the significance of H2O2-metal adducts in catalysis, materials science and biotechnology, the nature of the interactions between H2O2 and metal cations remains elusive and debatable. This is primarily due to the extremely weak coordinating ability of H2O2, which poses challenges in characterizing and understanding the specific nature of these interactions. Herein, we present an approach to obtain H2O2–metal complexes that employs neat H2O2 as both solvent and ligand. SnCl4 effectively binds H2O2, forming a SnCl4(H2O2)2 complex, as confirmed by 119Sn and 17O NMR spectroscopy. Crystalline adducts, SnCl4(H2O2)2·H2O2·18-crown-6 and 2[SnCl4(H2O2)(H2O)]·18-crown-6, are isolated and characterized by X-ray diffraction, providing the complete characterization of the hydrogen bonding of H2O2 ligands including geometric parameters and energy values. DFT analysis reveals the synergy between a coordinative bond of H2O2 with metal cation and its hydrogen bonding with a second coordination sphere. This synergism of primary and secondary interactions might be a key to understanding H2O2 reactivity in biological systems. {\textcopyright} Crown 2024",

author = "Medvedev, {Alexander G.} and Egorov, {Pavel A.} and Mikhaylov, {Alexey A.} and Belyaev, {Evgeny S.} and Kirakosyan, {Gayane A.} and Gorbunova, {Yulia G.} and Filippov, {Oleg A.} and Belkova, {Natalia V.} and Shubina, {Elena S.} and Brekhovskikh, {Maria N.} and Kirsanova, {Anna A.} and Babak, {Maria V.} and Ovadia Lev and Prikhodchenko, {Petr V.}",

year = "2024",

doi = "10.1038/s41467-024-50164-9",

language = "English",

volume = "15",

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Medvedev, AG, Egorov, PA, Mikhaylov, AA, Belyaev, ES, Kirakosyan, GA, Gorbunova, YG, Filippov, OA, Belkova, NV, Shubina, ES, Brekhovskikh, MN, Kirsanova, AA , Babak, MV, Lev, O & Prikhodchenko, PV 2024, 'Synergism of primary and secondary interactions in a crystalline hydrogen peroxide complex with tin', Nature Communications, vol. 15, 5758. https://doi.org/10.1038/s41467-024-50164-9

TY - JOUR

T1 - Synergism of primary and secondary interactions in a crystalline hydrogen peroxide complex with tin

AU - Medvedev, Alexander G.

AU - Egorov, Pavel A.

AU - Mikhaylov, Alexey A.

AU - Belyaev, Evgeny S.

AU - Kirakosyan, Gayane A.

AU - Gorbunova, Yulia G.

AU - Filippov, Oleg A.

AU - Belkova, Natalia V.

AU - Shubina, Elena S.

AU - Brekhovskikh, Maria N.

AU - Kirsanova, Anna A.

AU - Babak, Maria V.

AU - Lev, Ovadia

AU - Prikhodchenko, Petr V.

PY - 2024

Y1 - 2024

N2 - Despite the significance of H2O2-metal adducts in catalysis, materials science and biotechnology, the nature of the interactions between H2O2 and metal cations remains elusive and debatable. This is primarily due to the extremely weak coordinating ability of H2O2, which poses challenges in characterizing and understanding the specific nature of these interactions. Herein, we present an approach to obtain H2O2–metal complexes that employs neat H2O2 as both solvent and ligand. SnCl4 effectively binds H2O2, forming a SnCl4(H2O2)2 complex, as confirmed by 119Sn and 17O NMR spectroscopy. Crystalline adducts, SnCl4(H2O2)2·H2O2·18-crown-6 and 2[SnCl4(H2O2)(H2O)]·18-crown-6, are isolated and characterized by X-ray diffraction, providing the complete characterization of the hydrogen bonding of H2O2 ligands including geometric parameters and energy values. DFT analysis reveals the synergy between a coordinative bond of H2O2 with metal cation and its hydrogen bonding with a second coordination sphere. This synergism of primary and secondary interactions might be a key to understanding H2O2 reactivity in biological systems. © Crown 2024

AB - Despite the significance of H2O2-metal adducts in catalysis, materials science and biotechnology, the nature of the interactions between H2O2 and metal cations remains elusive and debatable. This is primarily due to the extremely weak coordinating ability of H2O2, which poses challenges in characterizing and understanding the specific nature of these interactions. Herein, we present an approach to obtain H2O2–metal complexes that employs neat H2O2 as both solvent and ligand. SnCl4 effectively binds H2O2, forming a SnCl4(H2O2)2 complex, as confirmed by 119Sn and 17O NMR spectroscopy. Crystalline adducts, SnCl4(H2O2)2·H2O2·18-crown-6 and 2[SnCl4(H2O2)(H2O)]·18-crown-6, are isolated and characterized by X-ray diffraction, providing the complete characterization of the hydrogen bonding of H2O2 ligands including geometric parameters and energy values. DFT analysis reveals the synergy between a coordinative bond of H2O2 with metal cation and its hydrogen bonding with a second coordination sphere. This synergism of primary and secondary interactions might be a key to understanding H2O2 reactivity in biological systems. © Crown 2024

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U2 - 10.1038/s41467-024-50164-9

DO - 10.1038/s41467-024-50164-9

M3 - RGC 21 - Publication in refereed journal

C2 - 38982085

SN - 2041-1723

VL - 15

JO - Nature Communications

JF - Nature Communications

M1 - 5758

ER -

Synergism of primary and secondary interactions in a crystalline hydrogen peroxide complex with tin

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