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dc.contributor.author
Perez, Evan H.  
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Menges, Fabian S.  
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Cattaneo, Mauricio  
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Mayer, James M.  
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Johnson, Mark A.  
dc.date.available
2021-10-04T14:52:33Z  
dc.date.issued
2020-06  
dc.identifier.citation
Perez, Evan H.; Menges, Fabian S.; Cattaneo, Mauricio; Mayer, James M.; Johnson, Mark A.; Characterization of the non-covalent docking motif in the isolated reactant complex of a double proton-coupled electron transfer reaction with cryogenic ion spectroscopy; American Institute of Physics; Journal of Chemical Physics; 152; 23; 6-2020; 1-8  
dc.identifier.issn
0021-9606  
dc.identifier.uri
http://hdl.handle.net/11336/142446  
dc.description.abstract
The solution kinetics of a proton-coupled electron transfer reaction involving two-electron oxidation of a Ru compound with concomitant transfer of two protons to a quinone derivative have been interpreted to indicate the formation of a long-lived intermediate between the reactants. We characterize the ionic reactants, products, and an entrance channel reaction complex in the gas phase using high-resolution mass spectrometry augmented by cryogenic ion IR photodissociation spectroscopy. Collisional activation of this trapped entrance channel complex does not drive the reaction to products but rather yields dissociation back to reactants. Electronic structure calculations indicate that there are four low-lying isomeric forms of the non-covalently bound complex. Comparison of their predicted vibrational spectra with the observed band pattern indicates that the C=O groups of the ortho-quinone attach to protons on two different -NH2 groups of the reactant scaffold, exhibiting strong O-H-N contact motifs. Since collisional activation does not lead to the products observed in the liquid phase, these results indicate that the reaction most likely proceeds through reorientation of the H-atom donor ligand about the metal center.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
American Institute of Physics  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
PROTON-COUPLED ELECTRON TRANSFER  
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RUTHENIUM  
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MASS SPECTROMETRY  
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INFRARED SPECTROSCOPY  
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Físico-Química, Ciencia de los Polímeros, Electroquímica  
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Ciencias Químicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
Characterization of the non-covalent docking motif in the isolated reactant complex of a double proton-coupled electron transfer reaction with cryogenic ion spectroscopy  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2021-07-26T15:15:58Z  
dc.journal.volume
152  
dc.journal.number
23  
dc.journal.pagination
1-8  
dc.journal.pais
Estados Unidos  
dc.journal.ciudad
New York  
dc.description.fil
Fil: Perez, Evan H.. University of Yale; Estados Unidos  
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Fil: Menges, Fabian S.. University of Yale; Estados Unidos  
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Fil: Cattaneo, Mauricio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina  
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Fil: Mayer, James M.. University of Yale; Estados Unidos  
dc.description.fil
Fil: Johnson, Mark A.. University of Yale; Estados Unidos  
dc.journal.title
Journal of Chemical Physics  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1063/5.0012176  
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info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/5.0012176