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2021-06

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Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/183509

Single ion anisotropy and intramolecular interactions in CeIII and NdIII dimers

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https://doi.org/10.1021/acs.inorgchem.1c00647

Resum

This article reports the syntheses, characterization, structural description, together with magnetic and spectroscopic properties of two isostructural molecular magnets based on the chiral ligand N,N′-bis((1,2-diphenyl-(pyridine-2-yl)methylene)-(R,R/S,S)-ethane-1,2-diamine), L1, of general formula [Ln2(RR-L1)2(Cl6)]·MeOH·1.5H2O, (Ln = Ce (1) or Nd (2)). Multifrequency electron paramagnetic resonance (EPR), cantilever torque magnetometry (CTM) measurements, and ab initio calculations allowed us to determine single-ion magnetic anisotropy and intramolecular magnetic interactions in both compounds, evidencing a more important role of the anisotropic exchange for the NdIII derivative. The comparison of experimental and theoretical data indicates that, in the case of largely rhombic lanthanide ions, ab initio calculations can fail in determining the orientation of the weakest components, while being reliable in determining their principal values. However, they remain of paramount importance to set the analysis of EPR and CTM on sound basis, thus obtaining a very precise picture of the magnetic interactions in these systems. Finally, the electronic structure of the two complexes, as obtained by this approach, is consistent with the absence of zero-field slow relaxation observed in ac susceptibility.

Matèries

Cristalls, Ions, Magnetisme

Matèries (anglès)

Crystals, Ions, Magnetism

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Col·leccions

Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)
Articles publicats en revistes (Química Inorgànica i Orgànica)

Citació

MAYANS AYATS, Júlia, et al. Single ion anisotropy and intramolecular interactions in CeIII and NdIII dimers. Inorganic Chemistry. 2021. Vol. 60, num. 12, pags. 8692-8703. ISSN 0020-1669. [consulted: 4 of August of 2026]. Available at: https://hdl.handle.net/2445/183509

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