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

Craig, Gavin A. and Velmurugan, Gunasekaran and Wilson, Claire and Valiente, Rafael and Rajaraman, Gopalan and Murrie, Mark (2019) Magnetic properties of a family of [MnIII4LnIII4] wheel complexes : an experimental and theoretical study. Inorganic Chemistry, 58 (20). pp. 13815-13825. ISSN 1520-510X (https://doi.org/10.1021/acs.inorgchem.9b01592)

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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:Article
    ID code:70075
    Dates:
    Date
    Event
    21 October 2019
    Published
    7 October 2019
    Published Online
    31 May 2019
    Accepted
    Subjects:Science > Chemistry
    Department:Faculty of Science > Pure and Applied Chemistry
    Depositing user: Pure Administrator
    Date deposited:10 Oct 2019 13:42
    Last modified:11 Nov 2024 12:28
    URI:https://strathprints.strath.ac.uk/id/eprint/70075
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