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

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...

Full description

Saved in:
Bibliographic Details
Published in:Chemistry : a European journal 2021-02, Vol.27 (8), p.2623-2627
Main Authors: Ding, Xia‐Li, Zhai, Yuan‐Qi, Han, Tian, Chen, Wei‐Peng, Ding, You‐Song, Zheng, Yan‐Zhen
Format: Article
Language:English
Subjects:
Anisotropy
Chemistry
D4h symmetry
Dysprosium
energy barrier
Magnetic anisotropy
Magnets
single-molecule magnets
six-coordinate
Symmetry
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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.
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.202003931