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Can a C-H···O interaction be a determinant of conformation?

Abstract:

Whether nonconventional hydrogen bonds, such as the C-H···O interaction, are a consequence or a determinant of conformation is a long-running and unresolved issue. Here we outline a solid-state and quantum mechanical study designed to investigate whether a C-H···O interaction can override the significant trans-planar conformational preferences of α-fluoroamide substituents. A profound change in dihedral angle from trans-planar((OCCF)) to cis-planar((OCCF)) observed on introducing an acceptor ...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1021/ja301318a

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Organic Chemistry
Role:
Author
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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Organic Chemistry
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Organic Chemistry
Role:
Author
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Funding agency for:
Jones, C
Grant:
CASE award
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Funding agency for:
Baruah, P
Grant:
Marie Curie award
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Funding agency for:
Smith, M
Grant:
NSF CHE-1026826
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Publisher:
American Chemical Society Publisher's website
Journal:
Journal of the American Chemical Society Journal website
Volume:
134
Issue:
29
Pages:
12064-12071
Publication date:
2012-07-12
DOI:
EISSN:
1520-5126
ISSN:
0002-7863
Source identifiers:
342301
Language:
English
Keywords:
Pubs id:
pubs:342301
UUID:
uuid:a3f64536-5545-4a7b-a6b8-44f148f9909a
Local pid:
pubs:342301
Deposit date:
2012-12-19

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