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Synthesis, structure, and magnetic properties of the iron(iii) iodide complex with the 3,5-di-tert-butylcatecholate ligand

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Abstract

The reaction of iron(ii) iodide with 3,5-di-tert-butyl-o-benzoquinone (3,5-DBBQ) in anhydrous diethyl ether afforded the heteroleptic binuclear complex [Fe2I2(3,5-DBCat)2(Et2O)2] (1) (3,5-DBCat is 3,5-di-tert-butylcatecholate). The crystal structure of the newly synthesized compound 1 was determined by single-crystal X-ray diffraction analysis, and its phase purity was confirmed by powder X-ray diffraction. Quantum chemical calculations indicate that the iron(III) ions are in the high-spin state and the redox-active ligand is in the dianionic catecholate form. Magnetochemical measurements of 1 in the temperature range of 2–300 K revealed intramolecular antiferromagnetic exchange interactions between FeIII ions, which is consistent with quantum chemical calculations.

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Funding

This work was supported by the Ministry of Science and Higher Education of the Russian Federation within the framework of the state assignment for the N. S. Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences. The single-crystal X-ray diffraction and magnetochemical studies, elemental analysis, and IR spectroscopy were performed using the equipment of the Joint Research Center of Physical Investigation Methods for Substances and Materials of the N. S. Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences (JRC PMR IGIC RAS). The powder X-ray diffraction study was carried out using the equipment of the Center for Molecular Structure Studies of the A. N. Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences with the financial support from the Ministry of Science and Higher Education of the Russian Federation.

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Authors and Affiliations

  1. N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 31 Leninsky prosp., 119991, Moscow, Russia

    D. S. Yambulatov, S. A. Nikolaevskii, K. A. Babeshkin, N. N. Efimov, J. K. Voronina, M. A. Kiskin & I. L. Eremenko

  2. Institute of Physical and Organic Chemistry, Southern Federal University, 194/2 prosp. Stachki, 344090, Rostov-on-Don, Russia

    A. A. Starikova

  3. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 119334, Moscow, Russia

    A. S. Goloveshkin

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  1. D. S. Yambulatov
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  2. S. A. Nikolaevskii
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  3. K. A. Babeshkin
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  4. N. N. Efimov
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  5. J. K. Voronina
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  7. A. S. Goloveshkin
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  8. M. A. Kiskin
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  9. I. L. Eremenko
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Correspondence to D. S. Yambulatov.

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Dedicated to Academician of the Russian Academy of Sciences V. I. Ovcharenko on the occasion of his 70th birthday.

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1385–1393, July, 2022.

No human or animal subjects were used in this research.

The authors declare no competing interests.

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Yambulatov, D.S., Nikolaevskii, S.A., Babeshkin, K.A. et al. Synthesis, structure, and magnetic properties of the iron(iii) iodide complex with the 3,5-di-tert-butylcatecholate ligand. Russ Chem Bull 71, 1385–1393 (2022). https://doi.org/10.1007/s11172-022-3544-9

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  • DOI: https://doi.org/10.1007/s11172-022-3544-9

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