Magnetic properties of a family of [MnIII4LnIII4] wheel complexes: an experimental and theoretical study

Craig, G. A., Velmurugan, G., Wilson, C. , Valiente, R., Rajaraman, G. and Murrie, M. (2019) Magnetic properties of a family of [MnIII4LnIII4] wheel complexes: an experimental and theoretical study. Inorganic Chemistry, 58(20), pp. 13815-13825. (doi: 10.1021/acs.inorgchem.9b01592) (PMID:31588739)

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Abstract

The chelating ligand 1,3-bis(tris(hydroxymethyl)methylamino)propane (H6L) has been used to synthesize a family of octanuclear heterometallic complexes with the formula (NMe4)3[Mn4Ln4(H2L)3(H3L)(NO3)12] (Ln = La (1), Ce (2), Pr (3), Nd (4)). Encapsulation by the ligand causes the Mn(III) centers to lie in an unusually distorted (∼C2v) environment, which is shown by density functional theory and complete active space self-consistent field calculations to impact on the magnetic anisotropy of the Mn(III) ion. The theoretical study also supports the experimental observation of a ferromagnetic superexchange interaction between the Mn(III) ions in 1, despite the ions being separated by the diamagnetic La(III) ion. The optical properties of the compounds show that the distortion of the Mn(III) ions leads to three broad absorption bands originating from the transition metal ion, while the Nd(III) containing complex also displays some weak sharp features arising from the lanthanide f–f transitions.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Murrie, Professor Mark and Wilson, Dr Claire and Craig, Dr Gavin
Authors: Craig, G. A., Velmurugan, G., Wilson, C., Valiente, R., Rajaraman, G., and Murrie, M.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Inorganic Chemistry
Publisher:American Chemical Society
ISSN:0020-1669
ISSN (Online):1520-510X
Copyright Holders:Copyright © 2019 American Chemical Society
First Published:First published in Inorganic Chemistry 58(20):13815-13825
Publisher Policy:Reproduced under a Creative Commons License

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Project CodeAward NoProject NamePrincipal InvestigatorFunder's NameFunder RefLead Dept
164633Atom-by-atom control for the targeted chemical synthesis of heterometallic molecular nanomagnetsMark MurrieEngineering and Physical Sciences Research Council (EPSRC)EP/I027203/1Chemistry
168502Pressure-tuning interactions in molecule-based magnetsMark MurrieEngineering and Physical Sciences Research Council (EPSRC)EP/K033662/1Chemistry