Insight into D6h symmetry  : targeting strong axiality in stable dysprosium(III) hexagonal bipyramidal single-ion magnets

Canaj, Angelos B. and Dey, Sourav and Regincos Marti, Emma and Wilson, Claire and Rajaraman, Gopalan and Murrie, Mark (2019) Insight into D6h symmetry  : targeting strong axiality in stable dysprosium(III) hexagonal bipyramidal single-ion magnets. Angewandte Chemie International Edition, 58 (40). pp. 14146-14151. ISSN 1433-7851 (https://doi.org/10.1002/anie.201907686)

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Abstract

Following a novel synthetic strategy where the strong uniaxial ligand field generated by the Ph3SiO− (Ph3SiO−=anion of triphenylsilanol) and the 2,4-di-tBu-PhO− (2,4-di-tBu-PhO−=anion of 2,4-di-tertbutylphenol) ligands combined with the weak equatorial field of the ligand LN6, leads to [DyIII(LN6)(2,4-di-tBu-PhO)2](PF6) (1), [DyIII(LN6)(Ph3SiO)2](PF6) (2) and [DyIII(LN6)(Ph3SiO)2](BPh4) (3) hexagonal bipyramidal dysprosium(III) single-molecule magnets (SMMs) with high anisotropy barriers of Ueff=973 K for 1, Ueff=1080 K for 2 and Ueff=1124 K for 3 under zero applied dc field. Ab initio calculations predict that the dominant magnetization reversal barrier of these complexes expands up to the 3rd Kramers doublet, thus revealing for the first time the exceptional uniaxial magnetic anisotropy that even the six equatorial donor atoms fail to negate, opening up the possibility to other higher-order symmetry SMMs.

  • Item type:Article
    ID code:86154
    Dates:
    Date
    Event
    26 September 2019
    Published
    22 August 2019
    Published Online
    25 July 2019
    Accepted
    Subjects:Science > Chemistry
    Department:Faculty of Science > Pure and Applied Chemistry
    Depositing user: Pure Administrator
    Date deposited:13 Jul 2023 15:36
    Last modified:25 Apr 2024 07:59
    URI:https://strathprints.strath.ac.uk/id/eprint/86154
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