Assembly of imidazolyl-substituted nitronyl nitroxides into ferromagnetically coupled chains

Vasily Romanov, Irina Bagryanskaya, Nina Gritsan, Dmitry Gorbunov, Yulia Vlasenko, Mehman Yusubov, Elena Zaytseva, Dominique Luneau, Evgeny Tretyakov

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish
Article number219
JournalCrystals
Volume9
Issue number4
DOIs
Publication statusPublished - 1 Apr 2019

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Keywords

  • Crystal structure
  • Density functional theory
  • Exchange interaction
  • Hydrogen bonding
  • Imidazole
  • Nitronyl nitroxides

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Inorganic Chemistry

Cite this

Romanov, V., Bagryanskaya, I., Gritsan, N., Gorbunov, D., Vlasenko, Y., Yusubov, M., Zaytseva, E., Luneau, D., & Tretyakov, E. (2019). Assembly of imidazolyl-substituted nitronyl nitroxides into ferromagnetically coupled chains. Crystals, 9(4), [219]. https://doi.org/10.3390/cryst9040219