期刊
CHEMICAL SCIENCE
卷 4, 期 8, 页码 3310-3316出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3sc50843a
关键词
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资金
- 973 Project [2012CB821704]
- NSFC [91122032, 21121061, J1103305, 21201137]
- ERC Advanced Grant MolNanoSpin [226558]
- INPAC grant of KU Leuven
- Methusalem grant of KU Leuven
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 Dy-III site of a [Zn-Dy-Zn] complex changes from pentagonal-bipyramid (quasi-D-5h) to octahedron (quasi-O-h), inducing an energy barrier change from 305 cm(-1) (439 K) to a negligible value, respectively. Ab initio calculations reveal that the ideal D-5h-Dy-III is of perfect axiality with a substantial energy barrier in accordance with the experimental result.
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