@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",
}