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Synthesis and Electrochemical Study of Gold(I) Carbene Complexes.

Andrea Rodríguez-RubioÁlvaro YusteTomás TorrobaGabriel García-HerbosaJosé Vicente Cuevas
Published in: Molecules (Basel, Switzerland) (2024)
In this work, we have prepared and characterized some gold compounds wearing a N-heterocyclic carbene (NHC) ligand as well as alkynyl derivatives with different substituents. The study of their electrochemical behavior reveals that these complexes show an irreversible wave at potentials ranging between -2.79 and -2.91 V, referenced to the ferrocenium/ferrocene pair. DFT calculations indicate that the reduction occurs mainly on the aryl-C≡C fragment. The cyclic voltammetry experiments under CO 2 atmosphere show an increase in the faradaic current of the reduction wave compared to the experiments under argon atmosphere, indicating a possible catalytic activity towards the carbon dioxide reduction reaction (CO 2 RR).
Keyphrases
  • carbon dioxide
  • gold nanoparticles
  • density functional theory
  • molecular dynamics
  • electron transfer
  • structure activity relationship