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A Local D4h Symmetric Dysprosium(III) Single‐Molecule Magnet with an Energy Barrier Exceeding 2000 K

Ding, Xia‐Li ; Zhai, Yuan‐Qi ; Han, Tian ; Chen, Wei‐Peng ; Ding, You‐Song ; Zheng, Yan‐Zhen

Chemistry : a European journal, 2021-02, Vol.27 (8), p.2623-2627 [Periódico revisado por pares]

Weinheim: Wiley Subscription Services, Inc

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  • Título:
    A Local D4h Symmetric Dysprosium(III) Single‐Molecule Magnet with an Energy Barrier Exceeding 2000 K
  • Autor: Ding, Xia‐Li ; Zhai, Yuan‐Qi ; Han, Tian ; Chen, Wei‐Peng ; Ding, You‐Song ; Zheng, Yan‐Zhen
  • Assuntos: Anisotropy ; Chemistry ; D4h symmetry ; Dysprosium ; energy barrier ; Magnetic anisotropy ; Magnets ; single-molecule magnets ; six-coordinate ; Symmetry
  • É parte de: Chemistry : a European journal, 2021-02, Vol.27 (8), p.2623-2627
  • Notas: https://doi.org/10.26434/chemrxiv.12696578.v1
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    A previous version of this manuscript has been deposited on a preprint server
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  • Descrição: Three six‐coordinate DyIII single‐molecule magnets (SMMs) [Dy(OtBu)2(L)4]+ with local D4h symmetry are obtained by optimizing the equatorial ligands. One of the compounds with L=4‐phenylpyridine shows an energy barrier (Ueff) of 2075(11) K, which is the third largest Ueff, and the first Ueff>2000 K for SMMs with axial‐type symmetry so far. Ab initio analysis indicates that the exceptional uniaxial magnetic anisotropy is deeply related to the axially compressed octahedral geometry. This work provides a new insight into the local D4h symmetry for high‐performance SMMs. Building single‐molecule magnets: A compressed octahedral dysprosium(III) single‐molecule magnet with local D4h symmetry exhibits an energy barrier over 2000 K.
  • Editor: Weinheim: Wiley Subscription Services, Inc
  • Idioma: Inglês

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