Comparative study of EPR spectra and crystal field effect on local structure for (NiF_6)~(4-) coordination complex in Ni~(2+) :ZnF_2, NiF_2, and Ni~(2+):MgF_2 systems

摘要

The present work employs the complete energy matrices for ads configuration ion in a D_(2h) symmetry ligand field at first time to study the relationship between electron paramagnetic resonance (EPR) spectra and local structure of (NiF_6)~(4-)coordination complex in Ni~(2+):ZnF_2, NiF_2, and Ni~(2+):MgF_2 systems, respectively. The crystal field effect on the local structure of the three systems is investigated contrastively by calculating the values of |lD / l| and |lE / around the (NiF_6)~(4-)coordination complex. Moreover, the theoretical values of the g factors of Ni~(2+):ZnF_2, NiF_2, and Ni~(2+):MgF_2 systems are reported. Simultaneously, the calculated energy levels are in good agreement with the experimental absorption spectra.