Isotope effect profiles in the N-demethylation of N,N-dimethylanilines: a key to determine the pKa of nonheme Fe(III)-OH complexes

N-demethylation of N,N-dimethylanilines promoted by [(N4Py)FeIVQO]2+ occurs by an electron transfer-proton transfer (ET-PT) mechanismwith a rate determining PT step. From the bell-shaped curve of the KDIE profile it has been estimated that the pKa of [(N4Py)FeIII-OH]2+ is 9.7.