Modeling the magnetic properties of lanthanide complexes: relationship of the REC parameters with Pauling electronegativity and coordination number
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Modeling the magnetic properties of lanthanide complexes: relationship of the REC parameters with Pauling electronegativity and coordination number

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Modeling the magnetic properties of lanthanide complexes: relationship of the REC parameters with Pauling electronegativity and coordination number

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Baldoví, José J. Perfil; Gaita Ariño, Alejandro Perfil; Coronado Miralles, Eugenio Perfil
This document is a artículoDate2015
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.

    José J. Baldoví, Alejandro Gaita-Ariño, Eugenio Coronado, Dalton Trans., 2015, 44, 12535-12538
https://doi.org/10.1039/C5DT01839K

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