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/anie.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 International Edition
Volume	54
Issue number	25
Pages (from-to)	7261-7264
Number of pages	4
ISSN	1433-7851
DOIs	https://doi.org/10.1002/anie.201410974
Publication status	Published - 2015

Keywords

Carbonylation
Density functional calculations
Heterogeneous catalysis
Reaction mechanisms
Zeolites

Access to Document

10.1002/anie.201410974

OpenUrl availability

Full text

Cite this

@article{b8e3a3a6a4e043bcb7e476b2ab4fc80b,

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 = "Carbonylation, Density functional calculations, Heterogeneous catalysis, Reaction mechanisms, Zeolites",

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/anie.201410974",

language = "English",

volume = "54",

pages = "7261--7264",

journal = "Angewandte Chemie International Edition",

issn = "1433-7851",

publisher = "Wiley-VCH",

number = "25",

}

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 - Carbonylation

KW - Density functional calculations

KW - Heterogeneous catalysis

KW - Reaction mechanisms

KW - Zeolites

U2 - 10.1002/anie.201410974

DO - 10.1002/anie.201410974

M3 - Journal article

C2 - 25967363

SN - 1433-7851

VL - 54

SP - 7261

EP - 7264

JO - Angewandte Chemie International Edition

JF - Angewandte Chemie International Edition

IS - 25

ER -

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

Abstract

Keywords

Access to Document

OpenUrl availability

Fingerprint

Cite this