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Updated: May 28, 2026

Hyperspectral Imaging as a Tool to Study Optical Anisotropy in Lanthanide-Based Molecular Single Crystals
Published on: April 14, 2020
Magnetic anisotropy in the excited states of low symmetry lanthanide complexes
Liviu Ungur1, Liviu F Chibotaru
1Division of Quantum and Physical Chemistry and INPAC-Institute of Nanoscale Physics and Chemistry, Katholieke Universiteit Leuven, Celestijnenlaan 200F, 3001, Leuven, Belgium. Liviu.Ungur@chem.kuleuven.be
Abstract:
Ab initio investigation of multiplet spectrum of lanthanides in archetypal coordination geometries shows an unexpected regular structure consisting of (i) mirror symmetry of anisotropic magnetic properties of doublet states, (ii) high magnetic axiality of low-lying and high-lying doublets, comparable to complexes with ideal axial symmetry, and (iii) the strong rotation of the anisotropy axes of individual doublets. The obtained high axiality of the ground doublet states explains the SMM behaviour of low-symmetry lanthanide complexes.
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