Bent carbon surface moieties as active sites on carbon catalysts for phosgene synthesis

N.K. Gupta, A. Pashigreva, E.A. Pidko, E.J.M. Hensen, L. Mleczko, S. Roggan, E.E. Ember, J.A. Lercher

Research output: Contribution to journalArticleAcademicpeer-review

13 Citations (Scopus)

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 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.

Original languageEnglish
Pages (from-to)1728-1732
Number of pages5
JournalAngewandte Chemie - International Edition
Volume55
Issue number5
DOIs
Publication statusPublished - 26 Jan 2016

Keywords

  • chlorine
  • density functional calculations
  • fullerenes
  • phosgene
  • reaction mechanisms

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