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Correlating reactivity and selectivity to cyclopentadienyl ligand properties in Rh(III)-catalyzed C-H activation reactions: an experimental and computational study

Abstract:

Cp(X)Rh(III)-catalyzed C-H functionalization reactions are a proven method for the efficient assembly of small molecules. However, rationalization of the effects of cyclopentadienyl (Cp(X)) ligand structure on reaction rate and selectivity has been viewed as a black box, and a truly systematic study is lacking. Consequently, predicting the outcomes of these reactions is challenging because subtle variations in ligand structure can cause notable changes in reaction behavior. A predictive tool ...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1021/jacs.6b11670

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Organic Chemistry
Role:
Author
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Funding agency for:
Paton, R
Grant:
EP/L015722/1
Publisher:
American Chemical Society Publisher's website
Journal:
Journal of the American Chemical Society Journal website
Volume:
139
Issue:
3
Pages:
1296–1310
Publication date:
2017-01-06
DOI:
EISSN:
1520-5126
ISSN:
0002-7863
Source identifiers:
670828
Language:
English
Pubs id:
pubs:670828
UUID:
uuid:4bbefbd3-e16c-4de7-b89e-ad04f3d1ecab
Local pid:
pubs:670828
Deposit date:
2017-01-23

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