Angular‐Resolved Magnetometry Beyond Triclinic Crystals: Out‐of‐Equilibrium Studies of Cp*ErCOT Single‐Molecule Magnet |
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| Authors: | Dr. Marie‐Emmanuelle Boulon Giuseppe Cucinotta Shan‐Shan Liu Dr. Shang‐Da Jiang Dr. Liviu Ungur Prof. Liviu F. Chibotaru Prof. Song Gao Prof. Roberta Sessoli |
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| Affiliation: | 1. Dipartimento di Chimica Ugo Schiff, Università degli Studi di Firenze, Via della Lastruccia 3‐13, 50019 Sesto Fiorentino (Italy);2. Beijing National Laboratory of Molecular Science, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (P.R. China);3. Division of Quantum and Physical Chemistry, Department of Chemistry, Katholieke Universiteit Leuven, Celestijnenlaan 200F 3001 Heverlee, Leuven (Belgium) |
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| 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. |
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| Keywords: | ab initio calculations anisotropy lanthanides magnetic properties molecular design |
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