Characterization of a Ferryl Flip in Electronically Tuned Nonheme Complexes. Consequences in Hydrogen Atom Transfer Reactivity
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. Int…
CCDC 2192965: Experimental Crystal Structure Determination
Related Article: Valeria Dantignana, M. Carmen Pérez-Segura, Pau Besalú-Sala, Estefanía Delgado-Pinar, Álvaro Martínez-Camarena, Joan Serrano-Plana, Andrea Álvarez-Núñez, Carmen E. Castillo, Enrique García-España, Josep M. Luis, Manuel G. Basallote, Miquel Costas, Anna Company|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202211361
CCDC 2192964: Experimental Crystal Structure Determination
Related Article: Valeria Dantignana, M. Carmen Pérez-Segura, Pau Besalú-Sala, Estefanía Delgado-Pinar, Álvaro Martínez-Camarena, Joan Serrano-Plana, Andrea Álvarez-Núñez, Carmen E. Castillo, Enrique García-España, Josep M. Luis, Manuel G. Basallote, Miquel Costas, Anna Company|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202211361
CCDC 2192963: Experimental Crystal Structure Determination
Related Article: Valeria Dantignana, M. Carmen Pérez-Segura, Pau Besalú-Sala, Estefanía Delgado-Pinar, Álvaro Martínez-Camarena, Joan Serrano-Plana, Andrea Álvarez-Núñez, Carmen E. Castillo, Enrique García-España, Josep M. Luis, Manuel G. Basallote, Miquel Costas, Anna Company|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202211361
CCDC 2192962: Experimental Crystal Structure Determination
Related Article: Valeria Dantignana, M. Carmen Pérez-Segura, Pau Besalú-Sala, Estefanía Delgado-Pinar, Álvaro Martínez-Camarena, Joan Serrano-Plana, Andrea Álvarez-Núñez, Carmen E. Castillo, Enrique García-España, Josep M. Luis, Manuel G. Basallote, Miquel Costas, Anna Company|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202211361