Реферат: A biradical formed by coordination of the organogold derivative of a nitronyl nitroxide radical with 1,1′-bis(diphenylphosphino)ferrocene was obtained. According to X-ray diffraction data, the Au—Au distance in the biradical structure is short (3.372 Å). The O atoms of paramagnetic groups form short intramolecular contacts with H atoms of cyclopentadienyl anions (2.360 and 2.581 Å) and with methyl H atoms (2.280 and 2.525 Å), as well as intermolecular contacts with H atoms of methyl groups (2.462 and 2.610 Å). Using cyclic voltammetry, it was established that the oxidation of the biradical occurs reversibly in three stages at potentials equal to −34, 232, and 845 mV vs. Ag/AgCl. Density functional calculations and the QTAIM and NBO analyses revealed that there is a weak noncovalent bond between gold atoms in the biradical complex due to partial transfer of an electron from the 5d orbital of one AuI ion to the 6s orbital of the other AuI ion. A weak intramolecular antiferromagnetic exchange interaction (J/kB ≈ −20 K) in the crystal structure was predicted.

Библиографическая ссылка: Zayakin I.A. , Syroeshkin M.A. , Shangin P.G. , Korlyukov A.A. , Dmitriev A.A. , Gritsan N.P. , Tretyakov E.V.
Binuclear complex of the organogold derivative of nitronyl nitroxide with 1,1′-bis(diphenylphosphino)ferrocene: synthesis, structure, and properties
Russian Chemical Bulletin. 2024. V.73. N5. P.1216-1228. DOI: 10.1007/s11172-024-4238-2 Scopus OpenAlex

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Scopus:	2-s2.0-85196661708
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