Chemical shift parametrization for metal-ion nuclear magnetic resonance spectroscopy of d6 transition metal complexes

Abstract

Metal-ion chemical shifts in cobalt(III), ruthenium(II), rhodium(III), and platinum(IV) complexes have been parametrized into metal and ligand contributions. The resulting metal-ion chemical shifts are calculated with a fair accuracy that allows analytical applications. Apparently diverse trends in the metal-ion chemical shifts for complexes of class A and B metal ions have been accommodated in a single scheme. An analysis of the ligand parameters shows that ligands including first-period ligating atoms can be ordered according to the increasing shielding of the metal ion into a magnetochemical series.