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

Authors: 
Dominik B. Rasmussen, Jakob M. Christensen, Burcin Temel, Felix Studt, Poul Georg Moses, Jan Rossmeisl, Anders Riisager, Anker D. Jensen
Year of publication: 
2015
Journal: 
Angewandte Chemie International Edition
DOI: 
10.1002/anie.201410974

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.

Research Areas: 
Synthetic fuels and chemicals, Heterogeneous catalysis, Experiment, Electronic structure theory
Funding sources: 
Topsoe, SUNCAT, DASTI