Stereochemistry of cyclopentane derivatives from  2, 3  J  CH  dependence on dihedral angle (θ HCCX) | Zendy

Lacerda Valdemar | Zendy; da Silva Gil V. J. | Zendy; Constantino Mauricio G. | Zendy; dos Santos Reginaldo B. | Zendy; de Castro Eustáquio V. R. | Zendy; Silva Renzo C. | Zendy

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Stereochemistry of cyclopentane derivatives from 2, 3 J CH dependence on dihedral angle (θ HCCX)

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.

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