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

Stabilizing the oxoiron(IV) unit: From a combination of X‐ray crystallography, NMR spectroscopy, and DFT calculations, the relative thermal stabilities of two oxoiron(IV) complexes with pentaaza ligands, such as that shown in the picture, can be ascribed to the number of pyridine rings that are orie...

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Veröffentlicht in:	Angewandte Chemie International Edition 2005-06, Vol.44 (24), p.3690-3694
Hauptverfasser:	Klinker, Eric J., Kaizer, József, Brennessel, William W., Woodrum, Nathaniel L., Cramer, Christopher J., Que Jr, Lawrence
Format:	Artikel
Sprache:	eng
Schlagworte:	bioinorganic chemistry Crystallography, X-Ray density functional calculations iron Iron - chemistry Magnetic Resonance Spectroscopy - methods Magnetic Resonance Spectroscopy - standards Models, Chemical Molecular Structure nitrogen heterocycles NMR spectroscopy Organometallic Compounds - chemistry Oxygen - chemistry Quantum Theory Reference Standards
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