Ligand-Field Spin-Orbit Energy Levels in the d5 Electron Configuration of Octahedral and Tetrahedral Symmetry

Open Access
Publisher Website
Google Scholar
Abstract
The complete ligand-field, Coulomb interelectronic repulsion, and spin-orbit interaction matrices have been derived for the d5 electron configuration within octahedral (Oh) and tetrahedral (Td) symmetry. The calculations were performed in both the weak-field and strong-field coupling schemes and complete agreement of the results was achieved. The energy matrices are parametrically dependent on ligand field (Dq), Coulomb repulsion (B, C), and spin-orbit interaction (ζ). Correct energy diagrams are presented which display the splittings by spin-orbit perturbation as well as the effect of configuration mixing. Applications to the interpretation of electronic spectra, and to complete studies in magnetism are pointed out. The detailed behavior at the crossover of ground terms is considered

This publication has 0 references indexed in Scilit: