Unprecedented Interplay of Antiferro- and Ferromagnetic Exchange Interactions through Intermolecular Hydrogen Bonds in Mononuclear Cu(II) Complexes | Sciact - CRIS-system of Boreskov Institute of Catalysis

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

Journal

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

Output data

Year: 2021, Volume: 45, Number: 27, Pages: 12236-12246 Pages count : 11 DOI: 10.1039/d1nj01440d

Tags

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

Authors

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

Affiliations

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”

Funding (2)

1	Ministry of Science and Higher Education of the Russian Federation
2	Southern Federal University

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 ANCAN OpenAlex

Submitted:	Mar 23, 2021
Accepted:	Jun 9, 2021
Published online:	Jun 10, 2021
Published print:	Jul 21, 2021

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

DB	Citing
Web of science	8
Scopus	8
Elibrary	12
OpenAlex	9