Skip to Main content Skip to Navigation
New interface
Journal articles

Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets

Abstract : The distribution of electrons in the 4f orbitals of lanthanide ions is often assigned a crucial role in the design of single-molecule magnets (SMMs), which maintain a magnetization in zero external field. Optimal spatial complementarity between the 4f-electron density (4f-ED) and the ligand field is key to maximizing magnetic anisotropy-an important factor in the ability of lanthanide complexes to display SMM behaviour. Here, we have experimentally determined the ED distribution in two dysprosium molecular complexes by interpreting high-resolution synchrotron X-ray diffraction with a multipole model. The ground-state 4f-ED is indeed found to be an oblate ellipsoid-as is often deduced from a simplified Sievers model that assumes a pure |±15/2> ground-state doublet for the lanthanide ion. The large equatorial
Complete list of metadata

Cited literature [46 references]  Display  Hide  Download

https://hal.univ-lorraine.fr/hal-02488685
Contributor : Alessandro Genoni Connect in order to contact the contributor
Submitted on : Thursday, May 28, 2020 - 5:26:30 PM
Last modification on : Sunday, June 26, 2022 - 2:50:05 AM

File

Main_Text.pdf
Files produced by the author(s)

Identifiers

Collections

Citation

Chen Gao, Alessandro Genoni, Song Gao, Shangda Jiang, Alessandro Soncini, et al.. Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets. Nature Chemistry, 2020, 12 (2), pp.213-219. ⟨10.1038/s41557-019-0387-6⟩. ⟨hal-02488685⟩

Share

Metrics

Record views

50

Files downloads

257