Understanding Electronic Ligand Perturbation over Successive Metal‐Based Redox Potentials in Mononuclear Ruthenium–Aqua Complexes. Issue 3 (10th January 2013)

• Record Type: Journal Article
• Authors: Vaquer, Lydia; Miró, Pere; Sala, Xavier; Bozoglian, Fernando; Masllorens, Ester; Benet‐Buchholz, Jordi; Fontrodona, Xavier; Parella, Teodor; Romero, Isabel; Roglans, Anna; Rodríguez, Montserrat; Bo, Carles; Llobet, Antoni
• Is Part Of: ChemPlusChem. Volume 78:Issue 3(2013:Mar.)
• Page Start: 235
• Page End: 243
• Publication Date: 2013-01-10
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1002/cplu.201200268
• Languages: English
• ISSNs: 2192-6506

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>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 Δ<italic>E</italic>_1/2, defined as the difference between <italic>E</italic>_1/2(Ru^IV/III) and <italic>E</italic>_1/2(Ru^III/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 Δ<italic>E</italic>_1/2, and consequently with the Ru^III disproportionation. The reactivity of these complexes has been tested with regard to the electrocatalytic oxidation of benzyl alcohol.</p> </abstract>