A Dy-III-based single-molecule magnet is reported. Ab initio calculations highlight that molecular symmetry plays a predominant role over site symmetry in determining the shape and orientation of Dy-III magnetic anisotropy. Moreover the dipolar component of the electrostatic potential created by the surrounding ligands is shown to be the driving force of its magnetic behaviour.
Analysis of the electrostatics in DyIIIsingle-molecule magnets: the case study of Dy(Murex)3 / Jung, J.; Yi, X.; Huang, G.; Calvez, G.; Daiguebonne, C.; Guillou, O.; Cador, O.; Caneschi, A.; Roisnel, T.; Le Guennic, B.; Bernot, K.. - In: DALTON TRANSACTIONS. - ISSN 1477-9226. - STAMPA. - 44:(2015), pp. 18270-18275. [10.1039/C5DT03345D]
Analysis of the electrostatics in DyIIIsingle-molecule magnets: the case study of Dy(Murex)3
CANESCHI, ANDREA;
2015
Abstract
A Dy-III-based single-molecule magnet is reported. Ab initio calculations highlight that molecular symmetry plays a predominant role over site symmetry in determining the shape and orientation of Dy-III magnetic anisotropy. Moreover the dipolar component of the electrostatic potential created by the surrounding ligands is shown to be the driving force of its magnetic behaviour.
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