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Issue 87, 2014
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Experimental and theoretical evidence that electrostatics governs easy-axis orientation in DyIII-based molecular chains

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Abstract

Magnetic slow relaxation is observed in a DyIII-based molecular chain and the magnetic easy-axis is determined via single-crystal magnetometry. Ab initio calculations confirm its orientation and highlight that the latter is governed neither by coordination polyhedron symmetry nor by the chain direction but rather by the single-ion electrostatic environment, a feature that is confirmed by a similar theoretical analysis on other DyIII chains.

Graphical abstract: Experimental and theoretical evidence that electrostatics governs easy-axis orientation in DyIII-based molecular chains

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The article was received on 02 Jul 2014, accepted on 10 Sep 2014 and first published on 10 Sep 2014


Article type: Communication
DOI: 10.1039/C4CC05062B
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Citation: Chem. Commun., 2014,50, 13346-13348
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    Experimental and theoretical evidence that electrostatics governs easy-axis orientation in DyIII-based molecular chains

    J. Jung, F. Le Natur, O. Cador, F. Pointillart, G. Calvez, C. Daiguebonne, O. Guillou, T. Guizouarn, B. Le Guennic and K. Bernot, Chem. Commun., 2014, 50, 13346
    DOI: 10.1039/C4CC05062B

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