期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 54, 期 25, 页码 7261-7264出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201410974
关键词
carbonylation; density functional calculations; heterogeneous catalysis; reaction mechanisms; zeolites
资金
- Technical University of Denmark
- Catalysis for Sustainable Energy Initiative (CASE) - Danish Ministry of Science, Technology and Innovation
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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