Single-Ion Anisotropy and Intramolecular Interactions in Ce<sup>III</sup> and Nd<sup>III</sup> Dimers
Júlia Mayans, Lorenzo Tesi, Matteo Briganti, Marie‐Emmanuelle Boulon, Mercè Font-Bardı́a, Albert Escuer, Lorenzo Sorace
Abstract
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.