Ítem
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Ministerio de Economía y Competitividad (Espanya)
Ministerio de Ciencia e Innovación (Espanya) |
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Vaquer, Lydia
Miró, Pere Sala, Xavier Bozoglian, Fernando Masllorens i Llinàs, Ester Benet Buchholz, Jordi Fontrodona, Xavier Parella Coll, Teodor Romero García, Isabel Roglans i Ribas, Anna Rodríguez Pizarro, Montserrat Bo, Carles Llobet Dalmases, Antoni |
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A family of new ruthenium complexes containing a combination of polypyridyl and carbene ligands has been prepared and characterized from structural, spectroscopic, and redox viewpoints both experimentally and computationally. Interestingly, a correlation between ΔE1/2, defined as the difference between E1/2(RuIV/III) and E1/2(RuIII/II), and the activity and selectivity of some catalytic oxidation processes has been clearly established. A density functional theory study on the synthesized species has been carried out revealing a correlation between the number of carbene ligands and ΔE1/2, and consequently with the RuIII disproportionation. The reactivity of these complexes has been tested with regard to the electrocatalytic oxidation of benzyl alcohol. Support from MINECO (CTQ2010-21497, CTQ2011-26440, CTQ2010-21532-C02-01, CTQ2009-08328, and CTQ2011-23121), “Torres y Quevedo” contract (X.S.) and Consolider Ingenio 2010 (CSD2006-0003) are gratefully acknowledged |
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| http://hdl.handle.net/2072/299121 | |
| eng | |
| Wiley-VCH Verlag | |
| Tots els drets reservats | |
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Ruteni -- Compostos
Ruthenium compounds Funcional de densitat, Teoria del Density functionals |
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| Understanding Electronic Ligand Perturbation over Successive Metal-Based Redox Potentials in Mononuclear Ruthenium–Aqua Complexes | |
| info:eu-repo/semantics/article | |
| Recercat |
