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

doi:10.1002/recl.19811000504

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 language	English
Pages (from-to)	180-184
Journal	Recueil des Travaux Chimiques des Pays-Bas
Volume	100
Issue number	5
DOIs	https://doi.org/10.1002/recl.19811000504
Publication status	Published - 1981

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

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.",

author = "{van Dommelen}, M.E. and {Ven, van de}, L.J.M. and H.M. Buck and {Haan, de}, J.W.",

year = "1981",

doi = "10.1002/recl.19811000504",

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volume = "100",

pages = "180--184",

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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

Y1 - 1981

N2 - 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.

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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VL - 100

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JO - Recueil des Travaux Chimiques des Pays-Bas

JF - Recueil des Travaux Chimiques des Pays-Bas

IS - 5

ER -

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

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