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Internal rotation of CH3 groups and entropy difference between diastereoisomers: A 13C NMR study via relaxation time measurements

par Brunel, Yvon;Coulombeau, Christian;Lavaitte, Stéphane;Reisse, Jacques
Référence Journal of physical organic chemistry, 4, 2, page (113-120)
Publication Publié, 1991

Article révisé par les pairs

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Résumé :

Overall and internal rotation can be studied by means of relaxation time measurements on carbon‐13. Diffusion constants associated with overall rotation and internal rotation can be used to quantify the intermolecular and intramolecular motional constraints. During the course of the study, a very careful examination of monomethyl and dimethylnorbornanes was performed and the results were compared with data obtained by neutron inelastic scattering. This study led to a clear conclusion concerning the real usefulness of relaxation time measurements as a very good alternative method for the determination of entropy contributions, which are usually calculated on the basis of vibrational studies. Copyright © 1991 John Wiley & Sons Ltd.