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Updated: Apr 23, 2026

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Experimental and theoretical evidence that electrostatics governs easy-axis orientation in Dy(III)-based molecular
Julie Jung1, François Le Natur, Olivier Cador
1Institut des Sciences Chimiques de Rennes, UMR 6226 CNRS-Université de Rennes 1, 263 Avenue du Général Leclerc, 35042 Rennes Cedex, France.
Abstract:
Magnetic slow relaxation is observed in a Dy(III)-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 Dy(III) chains.
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