Structure and EPR investigation of Cu(II) bifluoride complexes with zwitterionic N-hydroxyimidazole ligands

Structure and EPR investigation of Cu(II) bifluoride complexes with zwitterionic N-hydroxyimidazole ligands Научная публикация

Журнал

Inorganica Chimica Acta
ISSN: 0020-1693 , E-ISSN: 1873-3255

Вых. Данные

Год: 2021, Том: 517, Номер статьи : 120187, Страниц : DOI: 10.1016/j.ica.2020.120187

Ключевые слова

Copper(II) complex; Electron paramagnetic resonance; N-hydroxyimidazole; X-ray structure; Zwitterion

Авторы

Komarovskikh Komarovskikh Andrey ¹ , Danilenko Andrey ¹ , Sukhikh Aleksandr ¹ , Syrokvashin Mikhail ¹ , Selivanov Boris ²

Организации

1	Nikolaev Institute of Inorganic Chemistry SB RAS, Acad. Lavrentiev Ave. 3, Novosibirsk, 630090, Russian Federation
2	N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, Acad. Lavrentiev Ave. 9, Novosibirsk, 630090, Russian Federation

Copper(II) bifluoride complexes with zwitterionic N-hydroxyimidazole ligands 1-hydroxy-4methyl-2-(pyridin-2-yl)-5-phenylimidazole (HL1) and 1-hydroxy-2-(pyridin-2-yl)-4,5,6,7-tetrahydrobenzimidazole (HL2) were synthesized as a result of reaction of copper(II) fluoride dihydrate with corresponding ligand (metal-to-ligand ratio equal to 1:2) in hydrofluoric acid. The X-ray crystal structures of two compounds CuL12(HF2)2 and [CuL22(HF2)]2·(H2F3)·(H1.4F2.4) were solved. Solvent molecules enter the crystal structures stabilizing them due to the formation of hydrogen bonds. Both of the complexes were investigated with the EPR technique giving the spectra with S = 1/2, gxx = 2.06(1), gyy = 2.11(1), gzz = 2.21(1) and S = 1, gxx = 2.07(1), gyy = 2.07(1), gzz = 2.24(1), |D| = 61.6(5) mT, |E| = 0 (5) mT, respectively. The magnetic susceptibility measurements results correlate with EPR data. The calculations were performed in the framework of DFT theory; the g-tensors calculated are in good agreement with experimentally obtained. © 2020 Elsevier B.V.

Komarovskikh K.A. , Danilenko A. , Sukhikh A. , Syrokvashin M. , Selivanov B.
Structure and EPR investigation of Cu(II) bifluoride complexes with zwitterionic N-hydroxyimidazole ligands
Inorganica Chimica Acta. 2021. V.517. 120187 . DOI: 10.1016/j.ica.2020.120187 WOS Scopus РИНЦ

Опубликована в печати:

1 мар. 2021 г.

Web of science	WOS:000641448700001
Scopus	2-s2.0-85098469707
РИНЦ	45046057
OpenAlex	W3113277741