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Understanding Electronic Ligand Perturbation over Successive Metal‐Based Redox Potentials in Mononuclear Ruthenium–Aqua Complexes
Author(s) -
Vaquer Lydia,
Miró Pere,
Sala Xavier,
Bozoglian Fernando,
Masllorens Ester,
BenetBuchholz Jordi,
Fontrodona Xavier,
Parella Teodor,
Romero Isabel,
Roglans Anna,
Rodríguez Montserrat,
Bo Carles,
Llobet Antoni
Publication year - 2013
Publication title -
chempluschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.801
H-Index - 61
ISSN - 2192-6506
DOI - 10.1002/cplu.201200268
Subject(s) - ruthenium , disproportionation , carbene , chemistry , redox , reactivity (psychology) , selectivity , metal , density functional theory , ligand (biochemistry) , catalysis , photochemistry , inorganic chemistry , computational chemistry , organic chemistry , biochemistry , receptor , medicine , alternative medicine , pathology
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 E 1/2 , defined as the difference between E 1/2 (Ru IV/III ) and E 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 E 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.