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

doi:10.3390/cryst9040219

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 journal › Article › peer-review

2 Citations (Scopus)

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 language	English
Article number	219
Number of pages	12
Journal	Crystals
Volume	9
Issue number	4
DOIs	https://doi.org/10.3390/cryst9040219
Publication status	Published - 1 Apr 2019

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

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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,

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doi = "10.3390/cryst9040219",

language = "English",

volume = "9",

journal = "Crystals",

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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

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

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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 -

Assembly of imidazolyl-substituted nitronyl nitroxides into ferromagnetically coupled chains

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Keywords

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