{ "dc.contributor.author": "Planas Fàbrega, Oriol" , "dc.contributor.author": "Clémancey, Martin" , "dc.contributor.author": "Latour, Jean Marc" , "dc.contributor.author": "Company Casadevall, Anna" , "dc.contributor.author": "Costas Salgueiro, Miquel" , "dc.date.accessioned": "2015-09-15T11:06:00Z" , "dc.date.available": "2015-09-15T11:06:00Z" , "dc.date.issued": "2014-07-22" , "dc.identifier.issn": "1359-7345 (versió paper)" , "dc.identifier.issn": "1364-548X (versió electrònica)" , "dc.identifier.uri": "http://hdl.handle.net/10256/10913" , "dc.description.abstract": "A structural synthetic model of the iron(IV)-oxo-halide active species of non-heme iron dependent halogenases is reported. Compounds with general formula [FeIV(O)(X)(Pytacn)]+ (1-X, X = Cl, Br) have been prepared and characterized spectroscopically and chemically with regard to their oxidizing ability. 1-X performs hydrogen-atom abstraction of C–H bonds at reaction rates 2–3 times faster than the corresponding solvato dicationic species, thus modelling the first step in C–H functionalization taking place in natural halogenation" , "dc.description.sponsorship": "The authors acknowledge the European Commission for project FP7-PEOPLE-2011-CIG-303522 (A.C.), the European Research Council for project ERC-009StG-239910 (M.C.), Generalitat de Catalunya for an ICREA Academia Award (M.C.) and a predoctoral FI fellowship to O.P., and the SpanishMinistry of Science for project CTQ2012-37420-C02-01/BQU (M.C.) and a Ramon y Cajal contract to A.C. J.-M.L. acknowledges the support, in part, of Labex ARCANE (ANR-11-LABX-0003-01). We thank Catexel for a generous gift of tritosyl-1,4,7-triazacyclononane. We are grateful for financial support from INNPLANTA project INP-2011-0059-PCT-420000-ACT1 to Dr X. Ribas" , "dc.format.mimetype": "application/pdf" , "dc.language.iso": "eng" , "dc.publisher": "Royal Society of Chemistry (RSC)" , "dc.relation": "MINECO/PN 2013-2015/CTQ2012-37420-C02-01" , "dc.relation": "MICINN/PN 2011/INP-2011-0059-PCT-420000" , "dc.relation.isformatof": "Reproducció digital del document publicat a: http://dx.doi.org/10.1039/c4cc03234a" , "dc.relation.ispartof": "© Chemical Communications, 2014, vol. 50, p. 10887-10890" , "dc.relation.ispartofseries": "Articles publicats (D-Q)" , "dc.rights": "Tots els drets reservats" , "dc.subject": "Ferro -- Compostos" , "dc.subject": "Iron compounds" , "dc.subject": "Oxidació" , "dc.subject": "Oxidation" , "dc.title": "Structural modeling of iron halogenases: Synthesis and reactivity of halide-iron(iv)-oxo compounds" , "dc.type": "info:eu-repo/semantics/article" , "dc.rights.accessRights": "info:eu-repo/semantics/embargoedAccess" , "dc.embargo.terms": "Cap" , "dc.relation.projectID": "info:eu-repo/grantAgreement/EC/FP7/303522" , "dc.relation.projectID": "info:eu-repo/grantAgreement/EC/FP7/239910" , "dc.type.version": "info:eu-repo/semantics/publishedVersion" , "dc.identifier.doi": "http://dx.doi.org/10.1039/c4cc03234a" , "dc.identifier.idgrec": "021574" , "dc.contributor.funder": "European Research Council" , "dc.contributor.funder": "Ministerio de Economía y Competitividad (Espanya)" , "dc.contributor.funder": "Ministerio de Ciencia e Innovación (Espanya)" }