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Stereochemistry of cyclopentane derivatives from 2, 3 J CH dependence on dihedral angle (θ HCCX)
Author(s) -
Lacerda Valdemar,
da Silva Gil V. J.,
Constantino Mauricio G.,
dos Santos Reginaldo B.,
de Castro Eustáquio V. R.,
Silva Renzo C.
Publication year - 2008
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.2182
Subject(s) - dihedral angle , chemistry , cyclopentane , ring (chemistry) , crystallography , hydrogen bond , stereochemistry , computational chemistry , organic chemistry , molecule
The 2, 3 J CH dependence on dihedral angle (θ HCCX) for cyclopentane derivatives was investigated. We observed that the combined use of experimentally obtained 2, 3 J CH values and the theoretically determined dihedral angles between the corresponding nuclei can be used to infer the relative stereochemistry of the ring substituents in cyclopentane derivatives. There is a good correlation between the magnitude of 3 J CH and the dihedral angle between the hydrogen and the coupled carbon ( R 2 = 0.88). Copyright © 2008 John Wiley & Sons, Ltd.