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

Klinker Eric J. | Zendy; Kaizer József | Zendy; Brennessel William W. | Zendy; Woodrum Nathaniel L. | Zendy; Cramer Christopher J. | Zendy; Que Lawrence | Zendy

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

Author(s) -

Klinker Eric J.,

Kaizer József,

Brennessel William W.,

Woodrum Nathaniel L.,

Cramer Christopher J.,

Que Lawrence

Publication year - 2005

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.200500485

Subject(s) - spectroscopy , crystallography , nuclear magnetic resonance spectroscopy , chemistry , pyridine , physics , stereochemistry , organic chemistry , quantum mechanics

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 oriented parallel to the FeO bond. (Fe pink, N blue, O red, C black.)

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