A semi‐empirical energy‐level diagram for octahedral cobalt(II) complexes

Abstract

Abstract Methods of calculation for the parameters Dq and B from the ligand‐field spectra of octahedral cobalt(II) compounds are discussed. A method of calculation is introduced, which considers the lowering of the 4 T 1 g ( F ) state by spin‐orbit splitting. This calculation is applied to the spectra of 43 octahedrally coordinated cobalt(II) compounds. With the aid of the spectral data an energy‐level diagram is constructed, into which the absorption bands are fitted. Comparison of calculated Dq and B values with corresponding values for isomorphous nickel(II) compounds shows that ‐ in general ‐ the crystalfield parameter Dq is highest for cobalt, although the differences with nickel are less than 4 % in most cases. The calculated B values corresponds with those of Ni, with differences less than 1 % for many ligands.