A High Anisotropy Barrier in a Sulfur-Bridged Organodysprosium Single-Molecule Magnet

A High Anisotropy Barrier in a Sulfur-Bridged Organodysprosium Single-Molecule Magnet

The sulfur‐bridged dimers [{Cp′2Ln(μ‐SSiPh3)}2] (Ln=Gd (1), Dy (2); Cp′=η5‐C5H4Me) were synthesized by the transmetalation reactions between [Cp′3Ln] and Ph3SiSLi. Compound 2 is a single‐molecule magnet with slow relaxation of magnetization up to 40 K and an anisotropy barrier of Ueff=133 cm−1. Insi...

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Veröffentlicht in:Angewandte Chemie International Edition 2012-07, Vol.51 (28), p.6976-6980
Hauptverfasser: Tuna, Floriana, Smith, Charlene A., Bodensteiner, Michael, Ungur, Liviu, Chibotaru, Liviu F., McInnes, Eric J. L., Winpenny, Richard E. P., Collison, David, Layfield, Richard A.
Format: Artikel
Sprache:eng
Schlagworte:
ab initio calculations
Anisotropy
Barriers
Dimers
Dysprosium
Magnetization
Mathematical analysis
organometallics
single-molecule magnets
sulfur
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Zusammenfassung:The sulfur‐bridged dimers [{Cp′2Ln(μ‐SSiPh3)}2] (Ln=Gd (1), Dy (2); Cp′=η5‐C5H4Me) were synthesized by the transmetalation reactions between [Cp′3Ln] and Ph3SiSLi. Compound 2 is a single‐molecule magnet with slow relaxation of magnetization up to 40 K and an anisotropy barrier of Ueff=133 cm−1. Insight into the SMM properties of 2 and closely related SMMs has been obtained using ab initio calculations.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.201202497