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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. © 2020 Wiley-VCH GmbH
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Source :
Chemistry - A European Journal
ISSN: 0947-6539
Year: 2021
Issue: 8
Volume: 27
Page: 2623-2627
5 . 2 3 6
JCR@2020
ESI Discipline: CHEMISTRY;
ESI HC Threshold:32
CAS Journal Grade:3
Cited Count:
WoS CC Cited Count: 21
SCOPUS Cited Count: 64
ESI Highly Cited Papers on the List: 6 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 1
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