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Assembly of imidazolyl-substituted nitronyl nitroxides into ferromagnetically coupled chains. / Romanov, Vasily; Bagryanskaya, Irina; Gritsan, Nina et al.

In: Crystals, Vol. 9, No. 4, 219, 01.04.2019.

Research output: Contribution to journal › Article › peer-review

Harvard

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, vol. 9, no. 4, 219. https://doi.org/10.3390/cryst9040219

APA

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

Vancouver

Romanov V, Bagryanskaya I, Gritsan N, Gorbunov D, Vlasenko Y, Yusubov M et al. Assembly of imidazolyl-substituted nitronyl nitroxides into ferromagnetically coupled chains. Crystals. 2019 Apr 1;9(4):219. doi: 10.3390/cryst9040219

Author

Romanov, Vasily ; Bagryanskaya, Irina ; Gritsan, Nina et al. / Assembly of imidazolyl-substituted nitronyl nitroxides into ferromagnetically coupled chains. In: Crystals. 2019 ; Vol. 9, No. 4.

BibTeX

@article{87812bf6837b4adcbb3c9fe8f03dc2a9,
title = "Assembly of imidazolyl-substituted nitronyl nitroxides into ferromagnetically coupled chains",
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, DESIGN, nitronyl nitroxides, imidazole, SPIN, CRYSTAL-STRUCTURE, exchange interaction, HYDROGEN-BONDS, hydrogen bonding, ORGANIC MOLECULAR-SOLIDS, density functional theory, crystal structure, RADICALS",
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",
note = "Publisher Copyright: {\textcopyright} 2019 by the authors. Licensee MDPI, Basel, Switzerland.",
year = "2019",
month = apr,
day = "1",
doi = "10.3390/cryst9040219",
language = "English",
volume = "9",
journal = "Crystals",
issn = "2073-4352",
publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",
number = "4",

}

RIS

TY - JOUR

T1 - Assembly of imidazolyl-substituted nitronyl nitroxides into ferromagnetically coupled chains

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

N1 - Publisher Copyright: © 2019 by the authors. Licensee MDPI, Basel, Switzerland.

PY - 2019/4/1

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

KW - DESIGN

KW - nitronyl nitroxides

KW - imidazole

KW - SPIN

KW - CRYSTAL-STRUCTURE

KW - exchange interaction

KW - HYDROGEN-BONDS

KW - hydrogen bonding

KW - ORGANIC MOLECULAR-SOLIDS

KW - density functional theory

KW - crystal structure

KW - RADICALS

UR - http://www.scopus.com/inward/record.url?scp=85065912699&partnerID=8YFLogxK

U2 - 10.3390/cryst9040219

DO - 10.3390/cryst9040219

M3 - Article

AN - SCOPUS:85065912699

VL - 9

JO - Crystals

JF - Crystals

SN - 2073-4352

IS - 4

M1 - 219

ER -

ID: 20030540