Understanding electronic ligand perturbation over successive metal-based redox potentials in mononuclear ruthenium-aqua complexes

Lydia Vaquer, Pere Miró, Xavier Sala, Fernando Bozoglian, Ester Masllorens, Jordi Benet-Buchholz, Xavier Fontrodona, Teodor Parella, Isabel Romero, Anna Roglans, Montserrat Rodríguez, Carles Bo, Antoni Llobet

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12 Citations (Scopus)

Abstract

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 E 1/2(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. © 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Original languageEnglish
Pages (from-to)235-243
JournalChemPlusChem
Volume78
Issue number3
DOIs
Publication statusPublished - 1 Jan 2013

Keywords

  • Carbenes
  • Density functional calculations
  • Nitrogen heterocycles
  • Redox chemistry
  • Ruthenium

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