Central field expansion of radial integrals derived from ligand field parameters

Abstract

The uses of the previously introduced “United Atom” diagrams of certain transition metal complexes are extended. In particular it is shown that with the help of existing expansions of the ligand field parameters DQ, λ, B, etc. in terms of n_eff and Z_eff these diagrams can be successfully used to predict trends and variations in these parameters. The predicted trends and variations are then compared to experimental data.