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Aerobic and Ligand-Free Manganese-Catalyzed Homocoupling of Arenes or Aryl Halides via in Situ Formation of Aryllithiums.

Yujia LiuJulien BergèsYassir ZaidFouad Ouazzani ChahdiArie Van Der LeeDominique HarakatEric ClotFlorian JaroschikMarc Taillefer
Published in: The Journal of organic chemistry (2019)
Ligand-free manganese-catalyzed homocoupling of arenes or aryl halides can be carried out under aerobic conditions via the in situ formation of the corresponding aryllithiums. A wide range of biaryls and derivatives has been obtained, and a mechanism involving monomeric manganese-oxo complexes has been proposed on the basis of DFT calculations.
Keyphrases
  • density functional theory
  • room temperature
  • high intensity
  • molecular dynamics
  • molecular dynamics simulations
  • molecular docking
  • ionic liquid
  • structure activity relationship