Isotope effect profiles in the N-demethylation of N,N-dimethylanilines: a key to determine the pKa of nonheme Fe(iii)-OH complexesElectronic supplementary information (ESI) available: Details of oxidation procedures and calculations of pKa of 4-X-N,N-dimethylaniline radical cations in CH3CN. See DOI: 10.1039/c5cc00411j

N -demethylation of N , N -dimethylanilines promoted by [(N4Py)Fe IV &z.dbd;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 p K a of [(N4Py)Fe III -OH] 2+ is 9.7....

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Main Authors: Barbieri, Alessia, De Gennaro, Martina, Di Stefano, Stefano, Lanzalunga, Osvaldo, Lapi, Andrea, Mazzonna, Marco, Olivo, Giorgio, Ticconi, Barbara
Format: Article
Language:English
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Summary:N -demethylation of N , N -dimethylanilines promoted by [(N4Py)Fe IV &z.dbd;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 p K a of [(N4Py)Fe III -OH] 2+ is 9.7. p K a of [(N4Py)Fe III -OH] 2+ is obtained from the kinetic isotope effect profiles in the N -demethylation of N , N -dimethylanilines promoted by [(N4Py)Fe IV &z.dbd;O] 2+ .
ISSN:1359-7345
1364-548X
DOI:10.1039/c5cc00411j