Structures of Nonheme Oxoiron(IV) Complexes from X-ray Crystallography, NMR, and DFT Calculations

Klinker, E. J.; Kaizer, J.; Brennessel, W. W.; Woodrum, N. L.; Cramer, C. J.; Que, L., Jr.
Angew. Chem., Int. Ed. Engl. 2005, 44, 3690.

Stabilizing the oxoiron(IV) unit. As deduced from a combination of X-ray crystallography, NMR, and DFT calculations, the relative thermal stabilities of two oxoiron(IV) complexes of pentadentate N5 ligands can be ascribed to the number of pyridines oriented parallel to the Fe=O bond.

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