Estudo sistemático de parâmetros de campo cristalino em complexos de íons Eu3+

Abstract

In this work it has been utilised and compared two models and one method, namely, the point charge electrostatic model (PCEM), the simple overlap model (SOM) and the method of equivalent nearest neighbours (MENN), attempting to provide a satisfactory way of describing some spectroscopic properties of complexes containing Ln3+ ions. Crystal field parameters, charge factors, 7 F1 energy level splitting of trivalent europium and sublevel positions and charge factor versus average distance Ln–NN dependence for seventeen Eu3+ complexes, two among them with more than one luminescent site, were predicted. Like this, has possible developed a systematic study, availing and quantifying predictions and comparing with experimental data available. In particular, all develop study showed that there is still a major deficiency in the predictions of crystal field parameters with k > 2 which were show smaller magnitude, and that the prediction more satisfactory has been obtained with MENN, considering the binding charge Ln closest to than the NN.