Journal
CHEMISTRY-A EUROPEAN JOURNAL
Volume 19, Issue 41, Pages 13726-13731Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201302600
Keywords
ab initio calculations; anisotropy; lanthanides; magnetic properties; molecular design
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Funding
- European Research Council through the Advanced Grant MolNanoMas [267746]
- Italian MIUR, through the FIRB project [RBAP117RWN]
- INPAC
- Methusalem programs at KU Leuven
- Chinese NSFC [90922033]
- MOST [2013CB933401]
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Angular-resolved single-crystal magnetometry is a key tool to characterise lanthanide-based materials with low symmetry, for which conjectures based on idealised geometries can be totally misleading. Unfortunately the technique is strictly successful only for triclinic structures, thus reducing significantly its application. By collecting out-of-equilibrium magnetisation data the technique was extended to the orthorhombic organometallic Cp*ErCOT single-molecule magnet (SMM), thus allowing for the first time the reconstruction of the molecular anisotropy tensor notwithstanding the two molecular orientations in the crystal lattice. The results, flanked by state-of-the-art ab initio calculations, confirmed the expected orientation of the molecular easy axis of magnetisation and thus validated the synthetic strategy based on organometallic complexes of a single lanthanide ion.
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