Elucidating the exchange interactions in a {Gd III Cu II 4 } propellor.

Autor: Heras Ojea MJ; School of Chemistry, University of Glasgow, University Avenue, Glasgow G12 8QQ, UK. mark.murrie@glasgow.ac.uk., Wilson C; School of Chemistry, University of Glasgow, University Avenue, Glasgow G12 8QQ, UK. mark.murrie@glasgow.ac.uk., Cirera J; Departament de Química Inorgànica i Orgànica and Institut de Recerca de Química Teòrica i Computacional, Universitat de Barcelona, Diagonal 645, 08028 Barcelona, Spain., Oshio H; State Key Laboratory of Fine Chemicals, Dalian University of Technology, 2 Linggong Rd., 116024 Dalian, China., Ruiz E; Departament de Química Inorgànica i Orgànica and Institut de Recerca de Química Teòrica i Computacional, Universitat de Barcelona, Diagonal 645, 08028 Barcelona, Spain., Murrie M; School of Chemistry, University of Glasgow, University Avenue, Glasgow G12 8QQ, UK. mark.murrie@glasgow.ac.uk.
Jazyk: angličtina
Zdroj: Dalton transactions (Cambridge, England : 2003) [Dalton Trans] 2023 Mar 07; Vol. 52 (10), pp. 3203-3209. Date of Electronic Publication: 2023 Mar 07.
DOI: 10.1039/d2dt03901j
Abstrakt: The multinucleating ligand 2,2'-(propane-1,3-diyldiimino)bis[2-(hydroxymethyl)-propane-1,3-diol] (bis-tris propane, H 6 L) is used in the design of a new family of 3d-4f complexes that display an unusual {LnCu 4 } four-blade propeller topology. We report the synthesis, structure and magnetic characterisation of [LnCu 4 (H 4 L) 4 ](Cl) 2 (ClO 4 )·6CH 3 OH, where Ln = Gd (1), Tb (2), Dy (3), La (4). Previously we have used CH 3 COO - and NO 3 - as co-ligands with bis-tris propane, but here the use of Cl - and ClO 4 - leads to coordination of four {Cu(H 4 L)} units around the central Ln ion. A magneto-structural analysis reveals that the geometrical arrangement of the Cu(II) centres defined by the H 4 L 2- ligands controls the magnetic communication between the different metal centres. DFT calculations performed on the isotropic (Gd) and diamagnetic (La) systems 1 and 4 help to unravel the intriguing exchange interactions.
Databáze: MEDLINE