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

Experimental and theoretical evidence that electrostatics governs easy-axis orientation in... 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. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Chemical Communications Royal Society of Chemistry

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

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Royal Society of Chemistry
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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.

Journal

Chemical CommunicationsRoyal Society of Chemistry

Published: Oct 7, 2014

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