{MnIII2LnIII2} (Ln = Gd, La or Y) butterfly complexes: Ferromagnetic exchange observed between bis-μ-alkoxo bridged manganese(III) ions

Vignesh, KR, Martin, R, Miller, G, Rajaraman, G, Murray, KS and Langley, SK (2019) {MnIII2LnIII2} (Ln = Gd, La or Y) butterfly complexes: Ferromagnetic exchange observed between bis-μ-alkoxo bridged manganese(III) ions. Polyhedron, 170. pp. 508-514. ISSN 0277-5387

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Abstract

© 2019 Elsevier Ltd Three tetranuclear {MnIII2LnIII2} ‘butterfly’ complexes with common MnIII2 µ3-alkoxo bridging motifs surrounded by two LnIII ions (Ln = Gd, La or Y) have been studied by structural, magnetic and density functional theoretical calculations. The exchange coupling constant between the body–body Mn(III) ions is ferromagnetic in all cases, the La and Y examples being diamagnetic at the wing-wing positions. The wing-body Jwb (Mn–Gd) interaction is small and negative. Reasons are given for these JMnMn values, including the effects of the terminal LnIII ions, comparison to analogous Mn2 dinuclears, and the effects of spin polarisation.

Item Type:	Article
Peer-reviewed:	Yes
Date Deposited:	09 Jun 2020 07:44
Publisher:	Elsevier
Additional Information:	This is an Author Accepted Manuscript of a paper accepted for publication in Polyhedron, published by and copyright Elsevier.
Divisions:	Faculties > Science and Engineering Research Centres > Advanced Materials and Surface Engineering
Subject terms:	Mixed lanthanide–manganese(III) ions, Ferromagnetic exchange, DFT, Tetranuclear, {3d–4f} complexes, {Mn2Gd2} complexes, 0302 Inorganic Chemistry, 0306 Physical Chemistry (incl. Structural), 0399 Other Chemical Sciences, Inorganic & Nuclear Chemistry
URI:	https://e-space.mmu.ac.uk/id/eprint/625957
DOI:	https://doi.org/10.1016/j.poly.2019.05.061
ISSN	0277-5387

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{MnIII2LnIII2} (Ln = Gd, La or Y) butterfly complexes: Ferromagnetic exchange observed between bis-μ-alkoxo bridged manganese(III) ions