Theoretical Investigation of C−H Hydroxylation by (N4Py)FeIVO2+: An Oxidant More Powerful than P450?
Journal of the American Chemical Society2005Vol. 127(22), pp. 8026–8027
Citations Over TimeTop 10% of 2005 papers
Abstract
DFT calculations of C-H hydroxylation by a synthetic nonheme oxoiron(IV) oxidant supported by a neutral pentadentate N5 ligand show that this reagent is intrinsically more reactive than compound I of P450. This nonheme iron oxidant is predicted to exhibit stereoselective reactions, strong solvent effect, and involve multistate reactivity with spin-state crossing.
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