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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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Publication details

The article was received on 28 Aug 2015, accepted on 16 Sep 2015 and first published on 18 Sep 2015


Article type: Paper
DOI: 10.1039/C5DT03345D
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Citation: Dalton Trans., 2015,44, 18270-18275
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    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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