Spin Density Distribution in Iron(II) and Cobalt(II) Alkyl Complexes Containing 1,3-Bis(2-pyridylimino)isoindolate Ligands

Iron(II) and cobalt(II) alkyl complexes using tridentate bis(pyridylimino)isoindolates as ancillary ligands have been synthesized from the pyridine alkyl precursor complexes [(py)2Fe(CH2SiMe3)2] and [(py)2Co(CH2SiMe3)2]. The extremely air- and moisture-sensitive compounds were structurally characterized in the solid state by X-ray diffraction as well as in solution by paramagnetic NMR spectroscopy. It is demonstrated that the paramagnetic shifts in the 13C NMR spectra are dominated by strong Fermi-contact interactions. All 13C NMR signals can be assigned by correlation with DFT-calculated spin-density distributions.