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Title: Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D-5h to quasi-O-h
Authors: Liu, Jun-Liang
Chen, Yan-Cong
Zheng, Yan-Zhen
Lin, Wei-Quan
Ungur, Liviu
Wernsdorfer, Wolfgang
Chibotaru, Liviu ×
Tong, Ming-Liang #
Issue Date: 2013
Publisher: Royal Society of Chemistry
Series Title: Chemical Science vol:4 issue:8 pages:3310-3316
Abstract: A reversible single-crystal-to-single-crystal transformation is used to dramatically change the relaxation
behavior of a single-ion magnet. The coordination geometry of the DyIII site of a [Zn–Dy–Zn] complex
changes from pentagonal–bipyramid (quasi-D5h) to octahedron (quasi-Oh), inducing an energy barrier
change from 305 cm1 (439 K) to a negligible value, respectively. Ab initio calculations reveal that the
ideal D5h–DyIII is of perfect axiality with a substantial energy barrier in accordance with the experimental
result.
ISSN: 2041-6520
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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