M
Mireia Güell
Researcher at University of Girona
Publications - 24
Citations - 1255
Mireia Güell is an academic researcher from University of Girona. The author has contributed to research in topics: Spin states & Reactivity (chemistry). The author has an hindex of 17, co-authored 24 publications receiving 1178 citations. Previous affiliations of Mireia Güell include Stockholm University & University of Minnesota.
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Journal ArticleDOI
Observation of Fe(V)=O using variable-temperature mass spectrometry and its enzyme-like C–H and C=C oxidation reactions
Irene Prat,Jennifer S. Mathieson,Mireia Güell,Xavi Ribas,Josep M. Luis,Leroy Cronin,Miquel Costas +6 more
TL;DR: This study pioneers the implementation of variable-temperature mass spectrometry to investigate reactive intermediates and the generation of a Fe(V)=O species within a synthetic non-haem complex at -40 °C and its reaction with an olefin.
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Alkane Hydroxylation by a Nonheme Iron Catalyst that Challenges the Heme Paradigm for Oxygenase Action
TL;DR: The present results challenge the canonical description of oxygenases, the standard oxo-hydroxo tautomerism that applies to heme systems and serves as a precedent for alternative pathways for the oxidation of hydrocarbons at nonheme iron oxygenases.
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Importance of the basis set for the spin-state energetics of iron complexes.
TL;DR: It is seen throughout the paper that the STO and Gaussian-type orbital basis sets give consistent and rapidly converging results, while the convergence with respect to the basis set size is much slower for the GTO basis sets.
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Modeling the cis-oxo-labile binding site motif of non-heme iron oxygenases: water exchange and oxidation reactivity of a non-heme iron(IV)-oxo compound bearing a tripodal tetradentate ligand.
Irene Prat,Jonathan R. Frisch,Rubén Mas-Ballesté,Mireia Güell,Gergely Juhász,Xavi Ribas,Eckard Münck,Josep M. Luis,Lawrence Que,Miquel Costas +9 more
TL;DR: Despite its thermal stability, 2 proves to be a very powerful oxidant that is capable of breaking the strong C-H bond of cyclohexane (bond dissociation energy=99.3 kcal mol(-1)).
Journal ArticleDOI
O2 Activation and Selective Phenolate ortho Hydroxylation by an Unsymmetric Dicopper μ-η1:η1-Peroxido Complex
Isaac Garcia-Bosch,Jonathan R. Frisch,Miquel Torrent-Sucarrat,Mar Cardellach,Ilaria Gamba,Mireia Güell,Luigi Casella,Lawrence Que,Xavi Ribas,Josep M. Luis,Miquel Costas +10 more
TL;DR: This paper presents a meta-analysis of the determinants of infectious disease in eight broad categories - namely: coronavirus, norovirus, septicaemia, diarrhoea, meningitis, tetanus, swine flu, and meningococcal disease.