Magnetic Anisotropy in a Dysprosium/DOTA Single-Molecule Magnet: Beyond Simple Magneto-Structural Correlations

Magnetic moments: The orientation of the title single‐molecule magnet was investigated by magnetic single crystal and luminescence characterization, supported by ab initio calculations, and was found to be governed by the position of the hydrogen atoms of the apical water molecules. This finding sug...

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2012-02, Vol.51 (7), p.1606-1610
Main Authors: Cucinotta, Giuseppe, Perfetti, Mauro, Luzon, Javier, Etienne, Mael, Car, Pierre-Emmanuel, Caneschi, Andrea, Calvez, Guillaume, Bernot, Kevin, Sessoli, Roberta
Format: Article
Language:English
Subjects:
Ab initio calculations
Anisotropy
Atomic structure
Chemical Sciences
Contrast agents
Contrast media
Correlation
Dysprosium
Dysprosium - chemistry
Heterocyclic Compounds, 1-Ring - chemistry
Hydrogen atoms
Inorganic chemistry
lanthanide
Luminescence
Magnetic anisotropy
Magnetic moments
magnetic properties
Magnetics
Magnetism
Mathematical analysis
Molecular Structure
Orientation
Position (title)
Single crystals
Structural analysis
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Summary:Magnetic moments: The orientation of the title single‐molecule magnet was investigated by magnetic single crystal and luminescence characterization, supported by ab initio calculations, and was found to be governed by the position of the hydrogen atoms of the apical water molecules. This finding suggests that simple magneto‐structural correlations can give misleading clues for research in molecular magnetism as well as in the design of MRI contrast agents.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.201107453