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Open AccessArticle

Assembly of Imidazolyl-Substituted Nitronyl Nitroxides into Ferromagnetically Coupled Chains

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N. N. Vorozhtsov Institute of Organic Chemistry, 9 Ac. Lavrentiev Avenue, Novosibirsk 630090, Russia
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Department of Natural Sciences, Novosibirsk State University, 2 Pirogova Str., Novosibirsk 630090, Russia
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Institute of Chemical Kinetics and Combustion, 3 Institutskaya Str., Novosibirsk 63009, Russia
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Physics Department, Novosibirsk State University, 2 Pirogova Str., Novosibirsk 630090, Russia
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Research School of Chemistry & Applied Biomedical Sciences, Tomsk Polytechnic University, Tomsk 634050, Russia
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Université Claude Bernard Lyon-1, Campus de La Doua, 69622 Villeurbanne Cedex, France
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Authors to whom correspondence should be addressed.
Crystals 2019, 9(4), 219; https://doi.org/10.3390/cryst9040219
Received: 21 March 2019 / Revised: 17 April 2019 / Accepted: 18 April 2019 / Published: 23 April 2019
(This article belongs to the Special Issue Novel Hydrogen-bonded Materials with Significant Physical Properties)
New nitronyl nitroxides, namely, 2-(4,5-dimethylimidazol-2-yl)- and 2-(4,5-dichloroimidazol-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-3-oxide-1-oxyl, were prepared in crystalline form. According to single-crystal X-ray data, intra- and intermolecular hydrogen bonds are formed between NH groups of the imidazole cycles and O atoms of the nitroxide moieties. The intermolecular H-bonds contribute to the alignment of molecules into chains along the a-axis; this alignment causes short intrachain contacts between O and C atoms carrying spin density of opposite signs. Such an arrangement of nitroxides induces ferromagnetic intrachain interactions (J ≈ 10 cm−1) between neighboring radicals. View Full-Text
Keywords: nitronyl nitroxides; imidazole; crystal structure; hydrogen bonding; exchange interaction; density functional theory nitronyl nitroxides; imidazole; crystal structure; hydrogen bonding; exchange interaction; density functional theory
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Romanov, V.; Bagryanskaya, I.; Gritsan, N.; Gorbunov, D.; Vlasenko, Y.; Yusubov, M.; Zaytseva, E.; Luneau, D.; Tretyakov, E. Assembly of Imidazolyl-Substituted Nitronyl Nitroxides into Ferromagnetically Coupled Chains. Crystals 2019, 9, 219.

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