Elucidating the exchange interactions in a {GdIIICuII4} propellor

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Heras Ojea, María José and Wilson, Claire and Cirera, Jordi and Oshio, Hiroki and Ruiz, Eliseo and Murrie, Mark (2023) Elucidating the exchange interactions in a {GdIIICuII4} propellor. Dalton Transactions, 52 (10). pp. 3203-3209. ISSN 1477-9226 (https://doi.org/10.1039/D2DT03901J)

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Abstract

The multinucleating ligand 2,2′-(propane-1,3-diyldiimino)bis[2-(hydroxymethyl)-propane-1,3-diol] (bis–tris propane, H6L) is used in the design of a new family of 3d–4f complexes that display an unusual {LnCu4} four-blade propeller topology. We report the synthesis, structure and magnetic characterisation of [LnCu4(H4L)4](Cl)2(ClO4)·6CH3OH, where Ln = Gd (1), Tb (2), Dy (3), La (4). Previously we have used CH3COO− and NO3− as co-ligands with bis–tris propane, but here the use of Cl− and ClO4− leads to coordination of four {Cu(H4L)} units around the central Ln ion. A magneto-structural analysis reveals that the geometrical arrangement of the Cu(II) centres defined by the H4L2− 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.

ORCID iDs

Heras Ojea, María José ORCID logoORCID: https://orcid.org/0000-0002-9290-5178, Wilson, Claire, Cirera, Jordi, Oshio, Hiroki, Ruiz, Eliseo and Murrie, Mark;
CORE (COnnecting REpositories)