Ketene as a Reaction Intermediate in the Carbonylation of Dimethyl Ether to Methyl Acetate over Mordenite | SUNCAT - Center for Interface Science and Catalysis

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

Issue

Volume

Starting page

7261

Ending page

7264

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.

Keywords

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

Research Areas

Synthetic fuels and chemicals,

Heterogeneous catalysis,

Experiment,

Electronic structure theory

Funding sources

Topsoe,

SUNCAT,

DASTI

SUNCAT People

Felix Studt