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Rasmussen DB, Christensen JM, Temel B, et al. Ketene as a Reaction Intermediate in the Carbonylation of Dimethyl Ether to Methyl Acetate over Mordenite. Angew Chem Int Ed Engl. 2015;54(25):7261-4doi: 10.1002/anie.201410974.
Rasmussen, D. B., Christensen, J. M., Temel, B., Studt, F., Moses, P. G., Rossmeisl, J., Riisager, A., & Jensen, A. D. (2015). Ketene as a Reaction Intermediate in the Carbonylation of Dimethyl Ether to Methyl Acetate over Mordenite. Angewandte Chemie (International ed. in English), 54(25), 7261-4. https://doi.org/10.1002/anie.201410974
Rasmussen, Dominik B, et al. "Ketene as a Reaction Intermediate in the Carbonylation of Dimethyl Ether to Methyl Acetate over Mordenite." Angewandte Chemie (International ed. in English) vol. 54,25 (2015): 7261-4. doi: https://doi.org/10.1002/anie.201410974
Rasmussen DB, Christensen JM, Temel B, Studt F, Moses PG, Rossmeisl J, Riisager A, Jensen AD. Ketene as a Reaction Intermediate in the Carbonylation of Dimethyl Ether to Methyl Acetate over Mordenite. Angew Chem Int Ed Engl. 2015 Jun 15;54(25):7261-4. doi: 10.1002/anie.201410974. Epub 2015 May 12. PMID: 25967363.
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Angew Chem Int Ed Engl. 2015 Jun 15;54(25):7261-4. doi: 10.1002/anie.201410974. Epub 2015 May 12.

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

Angewandte Chemie (International ed. in English)

Dominik B Rasmussen, Jakob M Christensen, Burcin Temel, Felix Studt, Poul Georg Moses, Jan Rossmeisl, Anders Riisager, Anker D Jensen

Affiliations

  1. Department of Chemical and Biochemical Engineering, Technical University of Denmark, Building 229, 2800 Kgs. Lyngby (Denmark).
  2. Department of Chemical and Biochemical Engineering, Technical University of Denmark, Building 229, 2800 Kgs. Lyngby (Denmark). [email protected].
  3. Haldor Topsøe Research Laboratories, Nymøllevej 55, 2800 Kgs. Lyngby (Denmark).
  4. SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (USA).
  5. Department of Physics, Technical University of Denmark, Building 307, 2800 Kgs. Lyngby (Denmark).
  6. Center for Catalysis and Sustainable Chemistry, Department of Chemistry, Technical University of Denmark, Building 207, 2800 Kgs. Lyngby (Denmark).
  7. Department of Chemical and Biochemical Engineering, Technical University of Denmark, Building 229, 2800 Kgs. Lyngby (Denmark). [email protected].

PMID: 25967363 DOI: 10.1002/anie.201410974

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.

© 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keywords: carbonylation; density functional calculations; heterogeneous catalysis; reaction mechanisms; zeolites

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