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 1521-3773 (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.
ORCID iDs
Canaj, Angelos B., Dey, Sourav, Regincos Marti, Emma ORCID: https://orcid.org/0000-0002-5814-7596, Wilson, Claire, Rajaraman, Gopalan and Murrie, Mark;-
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Item type: Article ID code: 86154 Dates: DateEvent26 September 2019Published22 August 2019Published Online25 July 2019AcceptedSubjects: Science > Chemistry Department: Faculty of Science > Pure and Applied Chemistry Depositing user: Pure Administrator Date deposited: 13 Jul 2023 15:36 Last modified: 26 Oct 2024 06:38 URI: https://strathprints.strath.ac.uk/id/eprint/86154