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Characterization of a Ferryl Flip in Electronically Tuned Nonheme Complexes. Consequences in Hydrogen Atom Transfer Reactivity

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Characterization of a Ferryl Flip in Electronically Tuned Nonheme Complexes. Consequences in Hydrogen Atom Transfer Reactivity

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dc.contributor.author	Dantignana, Valeria
dc.contributor.author	Pérez-Segura, M. Carmen
dc.contributor.author	Besalú-Sala, Pau
dc.contributor.author	Delgado Pinar, Estefanía
dc.contributor.author	Martínez Camarena, Álvaro
dc.contributor.author	Serrano-Plana, Joan
dc.contributor.author	Álvarez-Núñez, Andrea
dc.contributor.author	Castillo, Carmen E.
dc.contributor.author	Garcia-España Monsonis, Enrique
dc.contributor.author	Luis, Josep M.
dc.contributor.author	Basallote, Manuel G.
dc.contributor.author	Costas, Miquel
dc.contributor.author	Company, Anna
dc.date.accessioned	2023-01-24T14:10:52Z
dc.date.available	2023-01-24T14:10:52Z
dc.date.issued	2023
dc.identifier.citation	Dantignana, Valeria Pérez-Segura, M. Carmen Besalú-Sala, Pau Delgado Pinar, Estefanía Martínez Camarena, Álvaro Serrano-Plana, Joan Álvarez-Núñez, Andrea Castillo, Carmen E. Garcia-España Monsonis, Enrique Luis, Josep M. Basallote, Manuel G. Costas, Miquel Company, Anna 2023 Characterization of a Ferryl Flip in Electronically Tuned Nonheme Complexes. Consequences in Hydrogen Atom Transfer Reactivity Angewandte Chemie 62 2 e202211361
dc.identifier.uri	https://hdl.handle.net/10550/85106
dc.description.abstract	Two oxoiron(IV) isomers (R2a and R2b) of general formula [FeIV(O)(RPyNMe3)(CH3CN)]2+ are obtained by reaction of their iron(II) precursor with NBu4IO4. The two isomers differ in the position of the oxo ligand, cis and trans to the pyridine donor. The mechanism of isomerization between R2a and R2b has been determined by kinetic and computational analyses uncovering an unprecedented path for interconversion of geometrical oxoiron(IV) isomers. The activity of the two oxoiron(IV) isomers in hydrogen atom transfer (HAT) reactions shows that R2a reacts one order of magnitude faster than R2b, which is explained by a repulsive noncovalent interaction between the ligand and the substrate in R2b. Interestingly, the electronic properties of the R substituent in the ligand pyridine ring do not have a significant effect on reaction rates. Overall, the intrinsic structural aspects of each isomer define their relative HAT reactivity, overcoming changes in electronic properties of the ligand.
dc.language.iso	eng
dc.relation.ispartof	Angewandte Chemie, 2023, vol. 62, num. 2, p. e202211361
dc.subject	Àtoms
dc.subject	Reaccions químiques
dc.title	Characterization of a Ferryl Flip in Electronically Tuned Nonheme Complexes. Consequences in Hydrogen Atom Transfer Reactivity
dc.type	journal article	es_ES
dc.date.updated	2023-01-24T14:10:52Z
dc.identifier.doi	10.1002/anie.202211361
dc.identifier.idgrec	156558
dc.rights.accessRights	open access	es_ES