DUGi

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

http://dugi.udg.edu/item/http:@@@@hdl.handle.net@@2072@@260208

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