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Combining ligand-enhanced backdonation and steric shielding to stabilize a mono-substituted Au(I) carbene.

David VesseurKarinne MiqueuDidier Bourissou
Published in: Chemical communications (Cambridge, England) (2023)
A mono-substituted Au(I) carbene was prepared by reacting HC(N 2 )(Dmp) (Dmp = 2,6-dimesitylphenyl) with an ( o -carboranyl)-diphosphine AuNTf 2 complex. It is stable up to -10 °C and was characterized by NMR spectrocopy. According to DFT calculations, the chelating P^P ligand enhances Au → C carb backdonation, while the Dmp substituent provides kinetic stabilization but does not bias the electronic structure of the carbene complex.
Keyphrases
  • sensitive detection
  • molecular docking
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  • density functional theory
  • molecular dynamics simulations
  • magnetic resonance
  • high resolution
  • molecular dynamics
  • quantum dots
  • visible light
  • solid state