title: Isotope effect profiles in the N-demethylation of N,N-dimethylanilines: a key to determine the pK(a) of nonheme Fe(III)-OH complexes.
abstract: N-demethylation of N,N-dimethylanilines promoted by [(N4Py)Fe(IV)=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 pK(a) of [(N4Py)Fe(III)-OH](2+) is 9.7.
authors.affiliation: Dipartimento di Chimica, Sapienza Università di Roma and Istituto CNR di Metodologie Chimiche (IMC-CNR), Sezione Meccanismi di Reazione, c/o Dipartimento di Chimica, Sapienza Università di Roma, P.le A. Moro 5, I-00185 Rome, Italy. osvaldo.lanzalunga@uniroma1.it.
authors.forename: Alessia
authors.initials: A
authors.lastname: Barbieri
authors.forename: Martina
authors.initials: M
authors.lastname: De Gennaro
authors.forename: Stefano
authors.initials: S
authors.lastname: Di Stefano
authors.forename: Osvaldo
authors.initials: O
authors.lastname: Lanzalunga
authors.forename: Andrea
authors.initials: A
authors.lastname: Lapi
authors.forename: Marco
authors.initials: M
authors.lastname: Mazzonna
authors.forename: Giorgio
authors.initials: G
authors.lastname: Olivo
authors.forename: Barbara
authors.initials: B
authors.lastname: Ticconi
mesh_terms: D000814:Aniline Compounds / Q000737:chemistry*; D003903:Deuterium / Q000737:chemistry*; D004579:Electron Transport; D005290:Ferric Compounds / Q000737:chemistry*; D006863:Hydrogen-Ion Concentration; D006878:Hydroxides / Q000737:chemistry*; D008745:Methylation; D015394:Molecular Structure; D011522:Protons
chemical_list: D000814:Aniline Compounds; D005290:Ferric Compounds; D006878:Hydroxides; D011522:Protons; C015157:N,N-dimethylaniline; C031356:hydroxide ion; D003903:Deuterium