dc.contributor.author |
Gimbert-Suriñach, Carolina |
dc.contributor.author |
Moonshiram, Dooshaye |
dc.contributor.author |
Francas, Laia |
dc.contributor.author |
Planas, Nora |
dc.contributor.author |
Bernales, Varinia |
dc.contributor.author |
Bozoglian, Fernando |
dc.contributor.author |
Guda, Alexander |
dc.contributor.author |
Mognon, Lorenzo |
dc.contributor.author |
López, Isidoro |
dc.contributor.author |
Hoque, Md Asmaul |
dc.contributor.author |
Gagliardi, Laura |
dc.contributor.author |
Cramer, Christopher J. |
dc.contributor.author |
Llobet, Antoni |
dc.date.accessioned |
2018-01-15T16:03:55Z |
dc.date.accessioned |
2018-02-15T10:28:55Z |
dc.date.available |
2018-01-15T16:03:55Z |
dc.date.available |
2018-02-15T10:28:55Z |
dc.date.issued |
2016 |
dc.identifier.uri |
http://hdl.handle.net/2072/226276 |
dc.identifier.uri |
http://hdl.handle.net/2072/305917 |
dc.language.iso |
eng |
dc.publisher |
American Chemical Society |
dc.relation |
MINECO with FEDER Funds |
dc.relation |
Proyectos I+D+I - Retos |
dc.relation |
Severo Ochoa Excellence Accreditation 2014-2018 |
dc.relation.ispartof |
Journal of the American Chemical Society |
dc.rights |
Copyright © 2016 American Chemical Society |
dc.title |
Structural and Spectroscopic Characterization of Reaction Intermediates Involved in a Dinuclear Co-Hbpp Water Oxidation Catalyst |
dc.type |
info:eu-repo/semantics/article |
dc.relation.projectID |
CTQ2016-80058-R |
dc.relation.projectID |
SEV2013-0319 |
dc.relation.projectID |
CTQ2014-52974-REDC |
dc.identifier.doi |
https://dx.doi.org/10.1021/jacs.6b08532 |
dc.rights.accessLevel |
info:eu-repo/semantics/openAccess |
dc.description.abstract |
An end-on superoxido complex with the formula {[CoIII(OH2)(trpy)][CoIII(OO•)(trpy)](μ-bpp)}4+ (34+) (bpp– = bis(2-pyridyl)-3,5-pyrazolate; trpy = 2,2′;6′:2″-terpyridine) has been characterized by resonance Raman, electron paramagnetic resonance, and X-ray absorption spectroscopies. These results together with online mass spectrometry experiments using 17O and 18O isotopically labeled compounds prove that this compound is a key intermediate of the water oxidation reaction catalyzed by the peroxido-bridged complex {[CoIII(trpy)]2(μ-bpp)(μ-OO)}3+ (13+). DFT calculations agree with and complement the experimental data, offering a complete description of the transition states and intermediates involved in the catalytic cycle. |