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

Результат исследований: Материалы для журналаСтатья

Выдержка

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.

Язык оригиналаАнглийский
Номер статьи219
ЖурналCrystals
Том9
Номер выпуска4
DOI
СостояниеОпубликовано - 1 апр 2019

Отпечаток

imidazoles
assembly
alignment
Atoms
Oxides
atoms
Hydrogen bonds
Single crystals
hydrogen bonds
Crystalline materials
X rays
cycles
Molecules
oxides
causes
single crystals
molecules
x rays
interactions
2-imidazoline

ASJC Scopus subject areas

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

Цитировать

Assembly of imidazolyl-substituted nitronyl nitroxides into ferromagnetically coupled chains. / Romanov, Vasily; Bagryanskaya, Irina; Gritsan, Nina; Gorbunov, Dmitry; Vlasenko, Yulia; Yusubov, Mehman; Zaytseva, Elena; Luneau, Dominique; Tretyakov, Evgeny.

В: Crystals, Том 9, № 4, 219, 01.04.2019.

Результат исследований: Материалы для журналаСтатья

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, том. 9, № 4, 219. https://doi.org/10.3390/cryst9040219
Romanov, Vasily ; Bagryanskaya, Irina ; Gritsan, Nina ; Gorbunov, Dmitry ; Vlasenko, Yulia ; Yusubov, Mehman ; Zaytseva, Elena ; Luneau, Dominique ; Tretyakov, Evgeny. / Assembly of imidazolyl-substituted nitronyl nitroxides into ferromagnetically coupled chains. В: Crystals. 2019 ; Том 9, № 4.
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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.",
keywords = "Crystal structure, Density functional theory, Exchange interaction, Hydrogen bonding, Imidazole, Nitronyl nitroxides",
author = "Vasily Romanov and Irina Bagryanskaya and Nina Gritsan and Dmitry Gorbunov and Yulia Vlasenko and Mehman Yusubov and Elena Zaytseva and Dominique Luneau and Evgeny Tretyakov",
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AU - Romanov, Vasily

AU - Bagryanskaya, Irina

AU - Gritsan, Nina

AU - Gorbunov, Dmitry

AU - Vlasenko, Yulia

AU - Yusubov, Mehman

AU - Zaytseva, Elena

AU - Luneau, Dominique

AU - Tretyakov, Evgeny

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Y1 - 2019/4/1

N2 - 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.

AB - 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.

KW - Crystal structure

KW - Density functional theory

KW - Exchange interaction

KW - Hydrogen bonding

KW - Imidazole

KW - Nitronyl nitroxides

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