Assembly of Imidazolyl-Substituted Nitronyl Nitroxides into Ferromagnetically Coupled Chains

Assembly of Imidazolyl-Substituted Nitronyl Nitroxides into Ferromagnetically Coupled Chains Научная публикация

Журнал

Crystals
ISSN: 2073-4352

Вых. Данные

Год: 2019, Том: 9, Номер: 4, Номер статьи : 219, Страниц : DOI: 10.3390/cryst9040219

Ключевые слова

nitronyl nitroxides; imidazole; crystal structure; hydrogen bonding; exchange interaction; density functional theory

Авторы

Romanov Vasily ¹ , Bagryanskaya Irina ^1,2 , Gritsan Nina ^3,4 , Gorbunov Dmitry ^3,4 , Vlasenko Yulia ⁵ , Yusubov Mehman ⁵ , Zaytseva Elena ^1,2 , Luneau Dominique ⁶ , Tretyakov Evgeny ^1,2

Организации

1	(Данные Web of science) NN Vorozhtsov Inst Organ Chem, 9 Ac Lavrentiev Ave, Novosibirsk 630090, Russia
2	(Данные Web of science) Novosibirsk State Univ, Dept Nat Sci, 2 Pirogova Str, Novosibirsk 630090, Russia
3	(Данные Web of science) Inst Chem Kinet & Combust, 3 Inst Skaya Str, Novosibirsk 630090, Russia
4	(Данные Web of science) Novosibirsk State Univ, Phys Dept, 2 Pirogova Str, Novosibirsk 630090, Russia
5	(Данные Web of science) Tomsk Polytech Univ, Res Sch Chem & Appl Biomed Sci, Tomsk 634050, Russia
6	(Данные Web of science) Univ Claude Bernard Lyon 1, Campus La Doua, F-69622 Villeurbanne, France

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 approximate to 10 cm(-1)) between neighboring radicals.

Romanov V. , Bagryanskaya I. , Gritsan N. , Gorbunov D. , Vlasenko Y. , Yusubov M. , Zaytseva E. , Luneau D. , Tretyakov E.
Assembly of Imidazolyl-Substituted Nitronyl Nitroxides into Ferromagnetically Coupled Chains

Crystals. 2019. V.9. N4. 219 . DOI: 10.3390/cryst9040219 WOS Scopus РИНЦ

Полный текст от издателя

Опубликована online:

23 апр. 2019 г.

Web of science	WOS:000467300100039
Scopus	2-s2.0-85065912699
РИНЦ	39005962
OpenAlex	W2941356484