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Royal Society of Chemistry, Chemical Communications, 24(51), p. 5032-5035, 2015

DOI: 10.1039/c5cc00411j

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

Journal article published in 2015 by Alessia Barbieri, Martina De Gennaro, Stefano Di Stefano, Osvaldo Lanzalunga, Andrea Lapi, Marco Mazzonna, Giorgio Olivo ORCID, Barbara Ticconi
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This paper is available in a repository.

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Abstract

N-demethylation of N,N-dimethylanilines promoted by [(N4Py)Fe(IV)[double bond, length as m-dash]O](2+) occurs by an electron transfer-proton transfer (ET-PT) mechanism with a rate determining PT step. From the bell-shaped curve of the KDIE profile it has been estimated that the pKa of [(N4Py)Fe(III)-OH](2+) is 9.7.