TY - JOUR
T1 - Structures of nonheme oxoiron(IV) complexes from X-ray crystallography, NMR spectroscopy, and DFT calculations
AU - Klinker, Eric J.
AU - Kaizer, József
AU - Brennessel, William W.
AU - Woodrum, Nathaniel L.
AU - Cramer, Chris
AU - Que, Larry
PY - 2005/6/13
Y1 - 2005/6/13
N2 - (Figure Presented) 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 Fe= O bond. (Fe pink, N blue, O red, C black.).
AB - (Figure Presented) 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 Fe= O bond. (Fe pink, N blue, O red, C black.).
KW - Bioinorganic chemistry
KW - Density functional calculations
KW - Iron
KW - NMR spectroscopy
KW - Nitrogen heterocycles
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U2 - 10.1002/anie.200500485
DO - 10.1002/anie.200500485
M3 - Article
C2 - 15915527
AN - SCOPUS:20444482927
SN - 1433-7851
VL - 44
SP - 3690
EP - 3694
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 24
ER -