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

Dominik Bjørn Rasmussen; Jakob Munkholt Christensen; Burcin Temel; Felix Studt; Poul Georg Moses; Jan Rossmeisl; Anders Riisager; Anker Degn Jensen

doi:10.1002/ange.201410974

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

Dominik Bjørn Rasmussen
, Jakob Munkholt Christensen
, Burcin Temel
, Felix Studt
, Poul Georg Moses
, Jan Rossmeisl
, Anders Riisager
, Anker Degn Jensen

Research output: Contribution to journal › Journal article › Research › peer-review

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.

Original language	English
Journal	Angewandte Chemie
Volume	127
Issue number	25
Pages (from-to)	7369-7372
Number of pages	4
ISSN	0044-8249
DOIs	https://doi.org/10.1002/ange.201410974
Publication status	Published - 2015

Keywords

Carbonylierung
Dichtefunktionalrechnungen
Heterogene Katalyse
Reaktionsmechanismen
Zeolithe

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10.1002/ange.201410974

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

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.",

keywords = "Carbonylierung, Dichtefunktionalrechnungen, Heterogene Katalyse, Reaktionsmechanismen, Zeolithe",

author = "Rasmussen, \{Dominik Bj{\o}rn\} and Christensen, \{Jakob Munkholt\} and Burcin Temel and Felix Studt and Moses, \{Poul Georg\} and Jan Rossmeisl and Anders Riisager and Jensen, \{Anker Degn\}",

year = "2015",

doi = "10.1002/ange.201410974",

language = "English",

volume = "127",

pages = "7369--7372",

journal = "Angewandte Chemie",

issn = "0044-8249",

publisher = "John Wiley and Sons Ltd",

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TY - JOUR

T1 - Ketene as a Reaction Intermediate in the Carbonylation of Dimethyl Ether to Methyl Acetate over Mordenite

AU - Rasmussen, Dominik Bjørn

AU - Christensen, Jakob Munkholt

AU - Temel, Burcin

AU - Studt, Felix

AU - Moses, Poul Georg

AU - Rossmeisl, Jan

AU - Riisager, Anders

AU - Jensen, Anker Degn

PY - 2015

Y1 - 2015

N2 - 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.

AB - 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.

KW - Carbonylierung

KW - Dichtefunktionalrechnungen

KW - Heterogene Katalyse

KW - Reaktionsmechanismen

KW - Zeolithe

U2 - 10.1002/ange.201410974

DO - 10.1002/ange.201410974

M3 - Journal article

SN - 0044-8249

VL - 127

SP - 7369

EP - 7372

JO - Angewandte Chemie

JF - Angewandte Chemie

IS - 25

ER -

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

Abstract

Keywords

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