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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.)