title: Spectroscopic Characterization and Reactivity of Triplet and Quintet Iron(IV) Oxo Complexes in the Gas Phase.
abstract: Closely structurally related triplet and quintet iron(IV) oxo complexes with a tetradentate aminopyridine ligand were generated in the gas phase, spectroscopically characterized, and their reactivities in hydrogen-transfer and oxygen-transfer reactions were compared. The spin states were unambiguously assigned based on helium tagging infrared photodissociation (IRPD) spectra of the mass-selected iron complexes. It is shown that the stretching vibrations of the nitrate counterion can be used as a spectral marker of the central iron spin state.
authors.affiliation: Department of Organic Chemistry, Faculty of Science, Charles University in Prague, Hlavova 2030/8, 12843, Prague 2, Czech Republic.
authors.forename: Erik
authors.initials: E
authors.lastname: Andris
authors.affiliation: Department of Organic Chemistry, Faculty of Science, Charles University in Prague, Hlavova 2030/8, 12843, Prague 2, Czech Republic.
authors.forename: Juraj
authors.initials: J
authors.lastname: Jašík
authors.affiliation: Departament de Quimica and Institute of Computational Chemistry and Catalysis (IQCC), University of Girona, Campus Montilivi, Girona, 17071, Spain.|Serveis Tècnics de Recerca (STR), Universitat de Girona, Parc Científic i Tecnològic, 17003, Girona, Spain.
authors.forename: Laura
authors.initials: L
authors.lastname: Gómez
authors.affiliation: Departament de Quimica and Institute of Computational Chemistry and Catalysis (IQCC), University of Girona, Campus Montilivi, Girona, 17071, Spain. miquel.costas@udg.edu.
authors.forename: Miquel
authors.initials: M
authors.lastname: Costas
authors.affiliation: Department of Organic Chemistry, Faculty of Science, Charles University in Prague, Hlavova 2030/8, 12843, Prague 2, Czech Republic. roithova@natur.cuni.cz.
authors.forename: Jana
authors.identifier: http://orcid.org/0000-0001-5144-0688
authors.initials: J
authors.lastname: Roithová
keywords: C−H activation; IR spectroscopy; iron complexes; mass spectrometry; spin state