title: Modeling the magnetic properties of lanthanide complexes: relationship of the REC parameters with Pauling electronegativity and coordination number.
abstract: In a previous study, we introduced the Radial Effective Charge (REC) model to study the magnetic properties of lanthanide single ion magnets. Now, we perform an empirical determination of the effective charges (Zi) and radial displacements (Dr) of this model using spectroscopic data. This systematic study allows us to relate Dr and Zi with chemical factors such as the coordination number and the electronegativities of the metal and the donor atoms. This strategy is being used to drastically reduce the number of free parameters in the modeling of the magnetic and spectroscopic properties of f-element complexes.
authors.affiliation: Instituto de Ciencia Molecular (ICMol), Universidad de Valencia, C/Catedrático José Beltrán 2, E-46980 Paterna, Spain. gaita@uv.es.
authors.forename: José J
authors.initials: JJ
authors.lastname: Baldoví
authors.forename: Alejandro
authors.initials: A
authors.lastname: Gaita-Ariño
authors.forename: Eugenio
authors.initials: E
authors.lastname: Coronado