(Figure Presented) High-valent versatility: N4Py is a versatile pentadentate ligand demonstrated to stabilize both high-valent oxo and imido compounds. The [FeIV(NTs)(N4Py)]2+ complex (see DFT-optimized structure) has been characterized spectroscopically and formulated as having an S=1 iron(IV) center with an Fe=N bond (1.73 Å) that is longer than the Fe=O bond of its oxo analogue (1.65 Å).
- Bioinorganic chemistry
- Density functional calculations
- Imido ligands
- Mössbauer spectroscopy