Spin Density Distribution in Iron(II) and Cobalt(II) Alkyl Complexes Containing 1,3-Bis(2-pyridylimino)isoindolate Ligands
datasetposted on 2013-02-11, 00:00 authored by Désirée C. Sauer, Matthias Kruck, Hubert Wadepohl, Markus Enders, Lutz H. Gade
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.