Analysis of the electrostatics in Dy III single-molecule magnets: the case study of Dy(Murex) 3

Analysis of the electrostatics in Dy III single-molecule magnets: the case study of Dy(Murex) 3

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 th...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Dalton transactions : an international journal of inorganic chemistry 2015, Vol.44 (41), p.18270-18275
Hauptverfasser: Jung, J., Yi, X., Huang, G., Calvez, G., Daiguebonne, C., Guillou, O., Cador, O., Caneschi, A., Roisnel, T., Le Guennic, B., Bernot, K.
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung: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.
ISSN:1477-9226
1477-9234
DOI:10.1039/C5DT03345D