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各向异性分辨磁强计在三方晶系晶体之外的应用:Cp*ErCOT 单分子磁体的非平衡态研究。

Angular-resolved magnetometry beyond triclinic crystals: out-of-equilibrium studies of Cp*ErCOT single-molecule magnet.

机构信息

Dipartimento di Chimica Ugo Schiff, Università degli Studi di Firenze, Via della Lastruccia 3-13, 50019 Sesto Fiorentino (Italy).

出版信息

Chemistry. 2013 Oct 4;19(41):13726-31. doi: 10.1002/chem.201302600. Epub 2013 Sep 3.

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.

摘要

角分辨单晶磁强计是一种研究低对称性镧系材料的关键工具,对于这些材料,基于理想化几何形状的推测可能会产生完全误导。不幸的是,该技术仅在三方晶系结构中严格有效,因此大大限制了其应用。通过收集非平衡磁化数据,该技术被扩展到正交有机金属 Cp*ErCOT 单分子磁体 (SMM),从而首次允许在晶格中存在两个分子取向的情况下重建分子各向异性张量。这些结果由最先进的从头算计算支持,证实了预期的分子易磁化轴的取向,从而验证了基于单个镧系离子的有机金属配合物的合成策略。

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