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Probing the Origin of Magnetic Anisotropy in a Dinuclear {MnIIICuII} Single- Molecule Magnet: The Role of Exchange Anisotropy

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Title Probing the Origin of Magnetic Anisotropy in a Dinuclear {MnIIICuII} Single- Molecule Magnet: The Role of Exchange Anisotropy
 
Creator SINGH, SK
RAJARAMAN, G
 
Subject Bailar twist
exchange anisotropy
Jahn-Teller distortion
magnetic properties
zero-field splitting
TRANSITION-METAL-COMPLEXES
SPIN-HAMILTONIAN PARAMETERS
DENSITY-FUNCTIONAL THEORY
ZERO-FIELD SPLITTINGS
GROUND-STATE
ION
CLUSTERS
MN
RELAXATION
BLOCKING
 
Description Using ab initio calculations all the components of the magnetic anisotropy in a dinuclear [(MnCuCl)-Cu-III-Cl-II(5-Br-sap)(2)(MeOH)] single-molecule magnet (SMM) have been computed. These calculations reveal that apart from the single-ion anisotropy, the exchange anisotropy also plays a crucial role in determining the sign as well as the magnitude of the cluster anisotropy. Developed magneto-structural correlations suggest that a large ferromagnetic exchange can in fact reduce the ground-state anisotropy, which is an integral component in the design of SMMs.
 
Publisher WILEY-V C H VERLAG GMBH
 
Date 2014-12-28T12:41:00Z
2014-12-28T12:41:00Z
2014
 
Type Article
 
Identifier CHEMISTRY-A EUROPEAN JOURNAL, 20(18)5214-5218
0947-6539
1521-3765
http://dx.doi.org/10.1002/chem.201304357
http://dspace.library.iitb.ac.in/jspui/handle/100/16571
 
Language English