Please use this identifier to cite or link to this item: https://doi.org/10.1002/chem.201501866
Title: Tuning the Magnetic Interactions and Relaxation Dynamics of Dy-2 Single-Molecule Magnets
Authors: Xue, Shufang
Guo, Yun-Nan
Ungur, Liviu 
Tang, Jinkui
Chibotaru, Liviu F
Keywords: Science & Technology
Physical Sciences
Chemistry, Multidisciplinary
Chemistry
dysprosium
ab initio calculations
magnetic properties
N,O ligands
single-molecule magnets
ION MAGNET
LANTHANIDE COMPLEXES
ANISOTROPY BARRIER
GROUND-STATE
BLOCKING
BEHAVIOR
TRIANGLES
SYMMETRY
EXCHANGE
SYSTEMS
Issue Date: 28-Sep-2015
Publisher: WILEY-V C H VERLAG GMBH
Citation: Xue, Shufang, Guo, Yun-Nan, Ungur, Liviu, Tang, Jinkui, Chibotaru, Liviu F (2015-09-28). Tuning the Magnetic Interactions and Relaxation Dynamics of Dy-2 Single-Molecule Magnets. CHEMISTRY-A EUROPEAN JOURNAL 21 (40) : 14099-14106. ScholarBank@NUS Repository. https://doi.org/10.1002/chem.201501866
Abstract: Efficient modulation of single-molecule magnet (SMM) behavior was realized by deliberate structural modification of the Dy2 cores of [Dy2(a′povh)2(OAc)2(DMF)2] (1) and [Zn2Dy2(a′povh)2(OAc)6]•4 H2O (2; H2a′povh=N′-[amino(pyrimidin-2-yl)methylene]-o-vanilloyl hydrazine). Compound 1 having fourfold linkage between the two dysprosium ions shows high-performance SMM behavior with a thermal energy barrier of 322.1 K, whereas only slow relaxation is observed for compound 2 with only twofold connection between the dysprosium ions. This remarkable discrepancy is mainly because of strong axiality in 1 due to one pronounced covalent bond, as revealed by experimental and theoretical investigations. The significant antiferromagnetic interaction derived from bis(μ2-O) and two acetate bridging groups was found to be crucial in leading to a nonmagnetic ground state in 1, by suppressing zero-field quantum tunneling of magnetization.
Source Title: CHEMISTRY-A EUROPEAN JOURNAL
URI: https://scholarbank.nus.edu.sg/handle/10635/228723
ISSN: 0947-6539
1521-3765
DOI: 10.1002/chem.201501866
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