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Spectroscopic Characterization and Reactivity of Triplet and Quintet Iron(IV) Oxo Complexes in the Gas Phase

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

El mateix article està publicat a l’edició alemanya de la revista ’Angewandte chemie’ (issn 0044-8249, eissn 1521-3757), 2016, vol. 128, núm.11, p. 3701–3705. DOI http://dx.doi.org/10.1002/ange.201511374

This research was supported by the European Research Council (StG ISORI and BIDECASEOX), the Grant agencyof the Czech Republic (14-20077S), the Spanish MINECO (CTQ2012-37420-C02-01/BQU), and an ICREA AcademiaAward to M.C. Computational resources were provided by the MetaCentrum under the program LM2010005 and theCERIT-SC under the program Centre CERIT Scientific Cloud, part of the Operational Program Research and Development for Innovations, Reg. no. CZ.1.05/3.2.00/08.0144

Wiley-VCH Verlag

Author: Andris, Erik
Jašík, Juraj
Gómez Martín, Laura
Costas Salgueiro, Miquel
Roithová, Jana
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
El mateix article està publicat a l’edició alemanya de la revista ’Angewandte chemie’ (issn 0044-8249, eissn 1521-3757), 2016, vol. 128, núm.11, p. 3701–3705. DOI http://dx.doi.org/10.1002/ange.201511374
This research was supported by the European Research Council (StG ISORI and BIDECASEOX), the Grant agencyof the Czech Republic (14-20077S), the Spanish MINECO (CTQ2012-37420-C02-01/BQU), and an ICREA AcademiaAward to M.C. Computational resources were provided by the MetaCentrum under the program LM2010005 and theCERIT-SC under the program Centre CERIT Scientific Cloud, part of the Operational Program Research and Development for Innovations, Reg. no. CZ.1.05/3.2.00/08.0144
Document access: http://hdl.handle.net/2072/260208
Language: eng
Publisher: Wiley-VCH Verlag
Rights: Attribution-NonCommercial 3.0 Spain
Rights URI: http://creativecommons.org/licenses/by-nc/3.0/es/
Subject: Catalitzadors
Catalysts
Espectroscòpia infraroja
Infrared spectroscopy
Ferro -- Compostos -- Oxidació
Iron compounds -- Oxidation
Espectrometria de masses
Mass spectrometry
Title: Spectroscopic Characterization and Reactivity of Triplet and Quintet Iron(IV) Oxo Complexes in the Gas Phase
Type: info:eu-repo/semantics/article
Repository: Recercat

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