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Issue 41, 2015
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Analysis of the electrostatics in DyIII single-molecule magnets: the case study of Dy(Murex)3

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Abstract

A DyIII-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 DyIII 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.

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

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Article information


Submitted
28 Aug 2015
Accepted
16 Sep 2015
First published
18 Sep 2015

Dalton Trans., 2015,44, 18270-18275
Article type
Paper
Author version available

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

J. Jung, X. Yi, G. Huang, G. Calvez, C. Daiguebonne, O. Guillou, O. Cador, A. Caneschi, T. Roisnel, B. Le Guennic and K. Bernot, Dalton Trans., 2015, 44, 18270
DOI: 10.1039/C5DT03345D

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