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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.
Afiliação
  • Ding XL; Frontier Institute of Science and Technology (FIST), School of Chemistry, Xi'an Jiaotong University Shenzhen Research School, State Key Laboratory for Mechanical Behavior of Materials, MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of, Condensed Matter, Xi'an Jiaotong University, Xi'
  • Zhai YQ; Frontier Institute of Science and Technology (FIST), School of Chemistry, Xi'an Jiaotong University Shenzhen Research School, State Key Laboratory for Mechanical Behavior of Materials, MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of, Condensed Matter, Xi'an Jiaotong University, Xi'
  • Han T; Frontier Institute of Science and Technology (FIST), School of Chemistry, Xi'an Jiaotong University Shenzhen Research School, State Key Laboratory for Mechanical Behavior of Materials, MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of, Condensed Matter, Xi'an Jiaotong University, Xi'
  • Chen WP; Frontier Institute of Science and Technology (FIST), School of Chemistry, Xi'an Jiaotong University Shenzhen Research School, State Key Laboratory for Mechanical Behavior of Materials, MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of, Condensed Matter, Xi'an Jiaotong University, Xi'
  • Ding YS; Frontier Institute of Science and Technology (FIST), School of Chemistry, Xi'an Jiaotong University Shenzhen Research School, State Key Laboratory for Mechanical Behavior of Materials, MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of, Condensed Matter, Xi'an Jiaotong University, Xi'
  • Zheng YZ; Frontier Institute of Science and Technology (FIST), School of Chemistry, Xi'an Jiaotong University Shenzhen Research School, State Key Laboratory for Mechanical Behavior of Materials, MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of, Condensed Matter, Xi'an Jiaotong University, Xi'
Chemistry ; 27(8): 2623-2627, 2021 Feb 05.
Article em En | MEDLINE | ID: mdl-32996640
ABSTRACT
Three six-coordinate DyIII single-molecule magnets (SMMs) [Dy(Ot Bu)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.
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article