Conformational equilibria of (E)-6-bromo-7-hydroxy-3,7-dimethyl-2-octene

M.E. van Dommelen, L.J.M. Ven, van de, H.M. Buck, J.W. Haan, de

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Abstract

The 1H NMR spectral parameters of the title compound have been determined in cyclohexane-d12 and p-dioxane-d8 solutions by means of high-frequency NMR. The results are interpreted in terms of conformational equilibria. Linear Electric Field (LEF) effects may play a major role in explaining the differences between the 13C NMR chemical shifts of the title compound and those of the model (E)2,6-dimethyl-2,6-octadiene. Some preliminary calculations of the LEF-induced shifts are presented, as well as the problems involved in the recognition of the LEF contributions to the experimental shift differences.
Original languageEnglish
Pages (from-to)180-184
JournalRecueil des Travaux Chimiques des Pays-Bas
Volume100
Issue number5
DOIs
Publication statusPublished - 1981

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Nuclear magnetic resonance
Electric fields
Electric field effects
Chemical shift
Cyclohexane
1,4-dioxane

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van Dommelen, M. E., Ven, van de, L. J. M., Buck, H. M., & Haan, de, J. W. (1981). Conformational equilibria of (E)-6-bromo-7-hydroxy-3,7-dimethyl-2-octene. Recueil des Travaux Chimiques des Pays-Bas, 100(5), 180-184. https://doi.org/10.1002/recl.19811000504
van Dommelen, M.E. ; Ven, van de, L.J.M. ; Buck, H.M. ; Haan, de, J.W. / Conformational equilibria of (E)-6-bromo-7-hydroxy-3,7-dimethyl-2-octene. In: Recueil des Travaux Chimiques des Pays-Bas. 1981 ; Vol. 100, No. 5. pp. 180-184.
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Conformational equilibria of (E)-6-bromo-7-hydroxy-3,7-dimethyl-2-octene. / van Dommelen, M.E.; Ven, van de, L.J.M.; Buck, H.M.; Haan, de, J.W.

In: Recueil des Travaux Chimiques des Pays-Bas, Vol. 100, No. 5, 1981, p. 180-184.

Research output: Contribution to journalArticleAcademicpeer-review

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T1 - Conformational equilibria of (E)-6-bromo-7-hydroxy-3,7-dimethyl-2-octene

AU - van Dommelen, M.E.

AU - Ven, van de, L.J.M.

AU - Buck, H.M.

AU - Haan, de, J.W.

PY - 1981

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AB - The 1H NMR spectral parameters of the title compound have been determined in cyclohexane-d12 and p-dioxane-d8 solutions by means of high-frequency NMR. The results are interpreted in terms of conformational equilibria. Linear Electric Field (LEF) effects may play a major role in explaining the differences between the 13C NMR chemical shifts of the title compound and those of the model (E)2,6-dimethyl-2,6-octadiene. Some preliminary calculations of the LEF-induced shifts are presented, as well as the problems involved in the recognition of the LEF contributions to the experimental shift differences.

U2 - 10.1002/recl.19811000504

DO - 10.1002/recl.19811000504

M3 - Article

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JO - Recueil des Travaux Chimiques des Pays-Bas

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