Journal article icon

Journal article

Mechanistic Study of a Ru-Xantphos Catalyst for Tandem Alcohol Dehydrogenation and Reductive Aryl-Ether Cleavage

Abstract:

We employ density functional theory (DFT) calculations and kinetics measurements to understand the mechanism of a xantphos-containing molecular ruthenium catalyst acting on an alkyl aryl ether linkage similar to that found in lignin to produce acetophenone and phenol. The most favorable reaction pathway suggested from DFT is compared to kinetics measurements, and good agreement is found between the predicted and the measured activation barriers. The DFT calculations reveal several interesting...

Expand abstract
Publication status:
Published

Actions


Access Document


Publisher copy:
10.1021/cs400110r

Authors


More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Organic Chemistry
Role:
Author
Journal:
ACS CATALYSIS More from this journal
Volume:
3
Issue:
5
Pages:
963-974
Publication date:
2013-05-01
DOI:
EISSN:
2155-5435
ISSN:
2155-5435
Language:
English
Keywords:
Pubs id:
pubs:405718
UUID:
uuid:075e9618-a9db-4dbb-81f8-84d8e58b9fa8
Local pid:
pubs:405718
Source identifiers:
405718
Deposit date:
2013-11-17

Terms of use


Views and Downloads






If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP