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

Angewandte Chemie
Navneet K GuptaJohannes A Lercher

Abstract

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 sp(2) 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.

References

May 10, 2003·Chemosphere·Lavrent Khachatryan, Barry Dellinger
Mar 4, 2011·Journal of Computational Chemistry·Stefan GrimmeLars Goerigk

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Citations

Feb 6, 2017·Chemical Reviews·Ronghe LinJavier Pérez-Ramírez
Sep 30, 2021·Science Advances·Patrick VoßnackerSebastian Riedel

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