Issue 45, 2011
From the journal:

Physical Chemistry Chemical Physics

Magnetic anisotropy in the excited states of low symmetry lanthanide complexes†

Liviu Ungur*a  and  Liviu F. Chibotaru*a  

* Corresponding authors

a Division of Quantum and Physical Chemistry and INPAC-Institute of Nanoscale Physics and Chemistry, Katholieke Universiteit Leuven, Celestijnenlaan 200F, Leuven, Belgium
E-mail: Liviu.Ungur@chem.kuleuven.be, Liviu.Chibotaru@chem.kuleuven.be
Fax: +32 1632 7992
Tel: +32 1632 7424

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.

Graphical abstract: Magnetic anisotropy in the excited states of low symmetry lanthanide complexes

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Article information

DOI
https://doi.org/10.1039/C1CP22689D
Article type
Communication
Submitted
22 Aug 2011
Accepted
13 Oct 2011
First published
25 Oct 2011

Phys. Chem. Chem. Phys., 2011,13, 20086-20090

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Magnetic anisotropy in the excited states of low symmetry lanthanide complexes

L. Ungur and L. F. Chibotaru, Phys. Chem. Chem. Phys., 2011, 13, 20086 DOI: 10.1039/C1CP22689D

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