Electronic structure and magnetic properties of lanthanide 3+ cations
- Kurzen, Helena Department of Chemistry, University of Fribourg, Switzerland
- Bovigny, Laura Department of Chemistry, University of Fribourg, Switzerland
- Bulloni, Claudio Department of Chemistry, University of Fribourg, Switzerland
- Daul, Claude Department of Chemistry, University of Fribourg, Switzerland
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14.06.2013
Published in:
- Chemical Physics Letters. - 2013, vol. 574, p. 129–132
English
The magnetic properties of lanthanides are currently of great interest. Especially, the discovery that mononuclear complexes of rare earth (RE) ions can exhibit magnetic anisotropy and can act as single molecular magnets. Heretofore, the magnetic susceptibility of RE ions has often been estimated, using HUND’s empirical formula. In this work, we propose a non-empirical calculation of magnetic susceptibilities of Ln(III) ions based on Van Vleck’s formula, that accounts for all excited states within the fn manifold. The values obtained with Van Vleck’s formula are much better than the ones with HUND’s formula and are in good agreement with the experiments.
- Faculty
- Faculté des sciences et de médecine
- Department
- Département de Chimie
- Language
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- English
- Classification
- Physics
- License
- License undefined
- Identifiers
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- RERO DOC 32511
- DOI 10.1016/j.cplett.2013.04.070
- Persistent URL
- https://folia.unifr.ch/unifr/documents/302990
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