Unprecedented Interplay of Antiferro- and Ferromagnetic Exchange Interactions through Intermolecular Hydrogen Bonds in Mononuclear Cu(II) Complexes | Sciact - CRIS-система Института катализа

Unprecedented Interplay of Antiferro- and Ferromagnetic Exchange Interactions through Intermolecular Hydrogen Bonds in Mononuclear Cu(II) Complexes Научная публикация

Журнал

New Journal of Chemistry
ISSN: 1144-0546 , E-ISSN: 1369-9261

Вых. Данные

Год: 2021, Том: 45, Номер: 27, Страницы: 12236-12246 Страниц : 11 DOI: 10.1039/d1nj01440d

Ключевые слова

Antiferromagnetism; Chlorine compounds; Complexation; Condensation reactions; Dimers; Exchange interactions; Ferromagnetic materials; Ferromagnetism; Hydrogen bonds; Single crystals

Авторы

Tupolova Yuliua P. ¹ , Levchenkov Sergey I. ^1,2 , Popov Leonid D. ¹ , Lebedev Vladimir E. ¹ , Minin Vadim V. ³ , Efimov Nikolay N. ³ , Lazarenko Vladimir A. ⁴ , Zubavichus Yan V. ⁵ , Zubenko Alexander A. ⁶ , Shcherbakov Igor N. ¹

Организации

1	Department of Chemistry, Southern Federal University
2	Federal Research Centre, The Southern Scientific Centre of the Russian Academy of Sciences
3	N.S. Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences
4	National Research Center “Kurchatov Institute”
5	Boreskov Institute of Catalysis SB RAS
6	North‐Caucasian Zonal Scientific Research Veterinary Institute – Branch of the Federal State Budget Scientific Institution “Federal Rostov Agricultural Research Centre”

Информация о финансировании (2)

1	Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)
2	Южный Федеральный Университет

Copper(II) coordination compounds with the condensation product of the diacetylmonoxime and 2-hydrazino-4,6-dimethylpirimidine (H2L) with composition [Сu(Н2L)Br2]·Н2О (I) and [Сu(Н2L)Cl2] (II) were synthesized. Molecular structures of the compounds were established with the help of single crystal X-ray diffraction study. In case of (I) H2O molecules facilitate formation of the infinite intermolecular hydrogen bond (HB) network, leading to ferromagnetic type exchange interaction between copper(II) ions of mononuclear coordination units and antiferromagnetic molecular field (2J = +5.53 cm–1, zJ´ = –0.53 cm–1). At the same time in (II) –(О–H)oxime···Сl centrosymmetric hydrogen bonded dimers are formed from mononuclear coordination units, resulting in presence of antiferromagnetic exchange interaction between Cu(II) centers and molecular field interaction of ferromagnetic type (2J = -2.21 cm–1, zJ´ = +0.63 cm–1 ). DFT-BS calculations were employed to clarify the nature of the pairwise exchange interactions in the crystals of (I) and (II) and to calculate the exchange interaction parameters for several supramolecular dimers, modelling possible superexchange pathways in the crystalline structures of I and II. In both compounds intermolecular HBs give rise to weak magnetic exchange interactions of both ferro- and antiferromagnetic type.

Tupolova Y.P. , Levchenkov S.I. , Popov L.D. , Lebedev V.E. , Minin V.V. , Efimov N.N. , Lazarenko V.A. , Zubavichus Y.V. , Zubenko A.A. , Shcherbakov I.N.
Unprecedented Interplay of Antiferro- and Ferromagnetic Exchange Interactions through Intermolecular Hydrogen Bonds in Mononuclear Cu(II) Complexes
New Journal of Chemistry. 2021. V.45. N27. P.12236-12246. DOI: 10.1039/d1nj01440d WOS Scopus РИНЦ CAPlusCA OpenAlex

Поступила в редакцию:	23 мар. 2021 г.
Принята к публикации:	9 июн. 2021 г.
Опубликована online:	10 июн. 2021 г.
Опубликована в печати:	21 июл. 2021 г.

Web of science:	WOS:000665074500001
Scopus:	2-s2.0-85109972166
РИНЦ:	46890366
Chemical Abstracts:	2021:1282446
Chemical Abstracts (print):	175:497849
OpenAlex:	W3170714069

БД	Цитирований
Web of science	8
Scopus	8
РИНЦ	11
OpenAlex	9