Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 54, Issue 25, Pages 7261-7264Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201410974
Keywords
carbonylation; density functional calculations; heterogeneous catalysis; reaction mechanisms; zeolites
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Funding
- Technical University of Denmark
- Catalysis for Sustainable Energy Initiative (CASE) - Danish Ministry of Science, Technology and Innovation
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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.
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