A flattened octahedron – the metal environment in complexes with pyrrolyl-substituted nitroxide diradicals

A flattened octahedron – the metal environment in complexes with pyrrolyl-substituted nitroxide diradicals Научная публикация

Журнал

Journal of Structural Chemistry (Журнал структурной химии)
ISSN: 0022-4766

Вых. Данные

Год: 2022, Том: 63, Номер: 3, Страницы: 441-450 Страниц : 10 DOI: 10.1134/s0022476622030106

Ключевые слова

nickel, copper, zinc, complexes, nitroxides, diradicals, pyrrole, single crystal X-ray diffraction, quantum chemical calculations, magnetochemistry

Авторы

Romanenko G.V. ¹ , Fokin S.V. ¹ , Bogomyakov A.S. ¹ , Zueva E.M. ^2,3 , Ovcharenko V.I. ¹

Организации

1	International Tomography Center, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
2	Kazan National Research Technical University, Kazan, Tatarstan, Russia
3	Arbuzov Institute of Organic and Physical Chemistry, Kazan Scientific Center, Russian Academy of Sciences, Kazan, Tatarstan, Russia

The structures of Ni(II), Cu(II), and Zn(II) complexes with anions of 2,5-pyrrolyl-disubstituted nitronyl nitroxide (L1) and iminonitroxide (L2) diradicals (HL1 is 2,2′-(1H-pyrrole-2,5diyl)-bis(4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl; HL2 is 2,2′-(1H-pyrrole-2,5-diyl)-bis(4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl) are studied. It is established that in all synthesized compounds, a tridentate meridional coordination of paramagnetic ligands is responsible for a distorted octahedral environment of the metal ion. In 2 [L] nM bis-chelates, the metal ion environment is an octahedron compressed along the NPyr–M–MPyr axis. When one of the ligands in the 22 [CuL ] molecule is replaced by a reduced L2H monoradical, a typical Cu(II) environment in the form of elongated octahedron arises in [CuL2 L2H]. It is found that in 1 2 [L] M complexes with bis-nitronyl nitroxide, the character of the temperature dependence of the effective magnetic oment μeff(T) is determined by antiferromagnetic exchange in coordinated diradicals. In 2 2 [L] M complexes with iminonitroxides, ferromagnetic exchange interactions between unpaired electrons of the metal ion and diradicals dominate.

Romanenko G.V. , Fokin S.V. , Bogomyakov A.S. , Zueva E.M. , Ovcharenko V.I.
A flattened octahedron – the metal environment in complexes with pyrrolyl-substituted nitroxide diradicals
Journal of Structural Chemistry (Журнал структурной химии). 2022. V.63. N3. P.441-450. DOI: 10.1134/s0022476622030106 WOS Scopus

Романенко Г.В. , Фокин С.В. , Богомяков А.С. , Зуева Е.М. , Овчаренко В.И.
Сжатый октаэдр — окружение металла в комплексах с пирролилзамещенными нитроксильными бирадикалами
Journal of Structural Chemistry (Журнал структурной химии). 2022. Т.63. №3. С.347-356. DOI: 10.26902/JSC_id89222

Опубликована в печати:

9 июн. 2022 г.

Web of science:	WOS:000809142800010
Scopus:	2-s2.0-85131718045

БД	Цитирований
Scopus	1
Web of science	1