title: Angular-resolved magnetometry beyond triclinic crystals: out-of-equilibrium studies of Cp*ErCOT single-molecule magnet.
abstract: Angular-resolved single-crystal magnetometry is a key tool to characterise lanthanide-based materials with low symmetry, for which conjectures based on idealised geometries can be totally misleading. Unfortunately the technique is strictly successful only for triclinic structures, thus reducing significantly its application. By collecting out-of-equilibrium magnetisation data the technique was extended to the orthorhombic organometallic Cp*ErCOT single-molecule magnet (SMM), thus allowing for the first time the reconstruction of the molecular anisotropy tensor notwithstanding the two molecular orientations in the crystal lattice. The results, flanked by state-of-the-art ab initio calculations, confirmed the expected orientation of the molecular easy axis of magnetisation and thus validated the synthetic strategy based on organometallic complexes of a single lanthanide ion.
authors.affiliation: Dipartimento di Chimica Ugo Schiff, Università degli Studi di Firenze, Via della Lastruccia 3-13, 50019 Sesto Fiorentino (Italy).
authors.forename: Marie-Emmanuelle
authors.initials: ME
authors.lastname: Boulon
authors.forename: Giuseppe
authors.initials: G
authors.lastname: Cucinotta
authors.forename: Shan-Shan
authors.initials: SS
authors.lastname: Liu
authors.forename: Shang-Da
authors.initials: SD
authors.lastname: Jiang
authors.forename: Liviu
authors.initials: L
authors.lastname: Ungur
authors.forename: Liviu F
authors.initials: LF
authors.lastname: Chibotaru
authors.forename: Song
authors.initials: S
authors.lastname: Gao
authors.forename: Roberta
authors.initials: R
authors.lastname: Sessoli
mesh_terms: D028581:Lanthanoid Series Elements / Q000737:chemistry*; D060306:Magnetometry / Q000379:methods; D059346:Magnets / Q000737:chemistry*; D008958:Models, Molecular; D009942:Organometallic Compounds / Q000737:chemistry*
chemical_list: D028581:Lanthanoid Series Elements; D009942:Organometallic Compounds
keywords: ab initio calculations; anisotropy; lanthanides; magnetic properties; molecular design