Ketene as a Reaction Intermediate in the Carbonylation of Dimethyl Ether to Methyl Acetate over Mordenite

Dominik Bjørn Rasmussen, Jakob Munkholt Christensen, Burcin Temel, Felix Studt, Poul Georg Moses, Jan Rossmeisl, Anders Riisager, Anker Degn Jensen

Research output: Contribution to journalJournal articlepeer-review

Abstract

Unprecedented insight into the carbonylation of dimethyl ether over Mordenite is provided through the identification of ketene (CH2CO) as a reaction intermediate. The formation of ketene is predicted by detailed DFT calculations and verified experimentally by the observation of doubly deuterated acetic acid (CH2DCOOD), when D2O is introduced in the feed during the carbonylation reaction.
Original languageEnglish
JournalAngewandte Chemie
Volume127
Issue number25
Pages (from-to)7369-7372
Number of pages4
ISSN0044-8249
DOIs
Publication statusPublished - 2015

Keywords

  • Carbonylierung
  • Dichtefunktionalrechnungen
  • Heterogene Katalyse
  • Reaktionsmechanismen
  • Zeolithe

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