Bent Carbon Surface Moieties as Active Sites on Carbon Catalysts for Phosgene Synthesis

Full text: Download

Publisher: Wiley (12 months)

Preprint: archiving allowed. Upload

Postprint: archiving restricted: Upload

  • 12 months embargo

Published version: archiving forbidden. Upload

Policy details (opens in a new window). Data provided by SHERPA/RoMEO
Active sites in carbon-catalyzed phosgene synthesis from gaseous CO and Cl2 have been identified using C60 fullerene as a model catalyst. The carbon atoms distorted from sp2 coordination in non-planar carbon units are concluded to generate active Cl2. Experiments and density functional theory calculations indicate the formation of a surface-bound [C60⋅⋅⋅Cl2] chlorine species with radical character as key intermediate during phosgene formation. It reacts rapidly with physisorbed CO in a two-step Eley–Rideal-type mechanism.