title: Experimental and theoretical evidence that electrostatics governs easy-axis orientation in Dy(III)-based molecular chains.
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.
authors.affiliation: Institut des Sciences Chimiques de Rennes, UMR 6226 CNRS-Université de Rennes 1, 263 Avenue du Général Leclerc, 35042 Rennes Cedex, France.
authors.forename: Julie
authors.initials: J
authors.lastname: Jung
authors.forename: François
authors.initials: F
authors.lastname: Le Natur
authors.forename: Olivier
authors.initials: O
authors.lastname: Cador
authors.forename: Fabrice
authors.initials: F
authors.lastname: Pointillart
authors.forename: Guillaume
authors.initials: G
authors.lastname: Calvez
authors.forename: Carole
authors.initials: C
authors.lastname: Daiguebonne
authors.forename: Olivier
authors.initials: O
authors.lastname: Guillou
authors.forename: Thierry
authors.initials: T
authors.lastname: Guizouarn
authors.forename: Boris
authors.initials: B
authors.lastname: Le Guennic
authors.forename: Kevin
authors.initials: K
authors.lastname: Bernot