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

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

doi:10.1002/chem.202003931

A Local D_4h Symmetric Dysprosium(III) Single-Molecule Magnet with an Energy Barrier Exceeding 2000 K**

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

Xi'an Jiaotong University

Research output: Contribution to journal › Article › peer-review

106 Scopus citations

Abstract

Three six-coordinate Dy^III single-molecule magnets (SMMs) [Dy(O^tBu)₂(L)₄]⁺ with local D_4h symmetry are obtained by optimizing the equatorial ligands. One of the compounds with L=4-phenylpyridine shows an energy barrier (U_eff) of 2075(11) K, which is the third largest U_eff, and the first U_eff>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 D_4h symmetry for high-performance SMMs.

Original language	English
Pages (from-to)	2623-2627
Number of pages	5
Journal	Chemistry - A European Journal
Volume	27
Issue number	8
DOIs	https://doi.org/10.1002/chem.202003931
State	Published - 5 Feb 2021

Keywords

D symmetry
dysprosium
energy barrier
single-molecule magnets
six-coordinate

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title = "A Local D4h Symmetric Dysprosium(III) Single-Molecule Magnet with an Energy Barrier Exceeding 2000 K**",

abstract = "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.",

keywords = "D symmetry, dysprosium, energy barrier, single-molecule magnets, six-coordinate",

author = "Ding, \{Xia Li\} and Zhai, \{Yuan Qi\} and Tian Han and Chen, \{Wei Peng\} and Ding, \{You Song\} and Zheng, \{Yan Zhen\}",

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doi = "10.1002/chem.202003931",

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T1 - A Local D4h Symmetric Dysprosium(III) Single-Molecule Magnet with an Energy Barrier Exceeding 2000 K**

AU - Ding, Xia Li

AU - Zhai, Yuan Qi

AU - Han, Tian

AU - Chen, Wei Peng

AU - Ding, You Song

AU - Zheng, Yan Zhen

PY - 2021/2/5

Y1 - 2021/2/5

N2 - 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.

AB - 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.

KW - D symmetry

KW - dysprosium

KW - energy barrier

KW - single-molecule magnets

KW - six-coordinate

UR - https://www.scopus.com/pages/publications/85099432171

U2 - 10.1002/chem.202003931

DO - 10.1002/chem.202003931

M3 - 文章

C2 - 32996640

AN - SCOPUS:85099432171

SN - 0947-6539

VL - 27

SP - 2623

EP - 2627

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

IS - 8

ER -

A Local D_4h Symmetric Dysprosium(III) Single-Molecule Magnet with an Energy Barrier Exceeding 2000 K**

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Keywords

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