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Influence of the spatial position of a trifluoromethyl group on the 13 C chemical shifts in the cyclohexane series
Author(s) -
Carcenac Yvan,
Diter Patrick,
Wakselman Claude,
Tordeux Marc
Publication year - 2006
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1804
Subject(s) - cyclohexane , chemistry , trifluoromethyl , chemical shift , ring (chemistry) , fluorine , group (periodic table) , carbon atom , series (stratigraphy) , hydrogen atom , stereochemistry , carbon fibers , hydrogen , crystallography , organic chemistry , alkyl , paleontology , biology , materials science , composite number , composite material
Abstract The influence of the introduction of a trifluoromethyl group on the 13 C chemical shifts in cyclohexane was examined. The two main effects observed are located at the α and γ positions relative to the carbon bearing the fluorine atoms. By comparison of the collected data it was possible to calculate the increments corresponding to the substitution of a hydrogen atom by a CF 3 group at axial or equatorial positions on the cyclohexane ring. Copyright © 2006 John Wiley & Sons, Ltd.