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Stereochemical studies: XVII—the proton coupling constants and conformational equilibria of trans-1,2-disubstituted cyclohexenes
Authors:N. M. Viktorova  S. P. Knyazev  N. S. Zefirov  Yu. D. Gavrilov  G. M. Nikolaev  V. F. Bystrov
Abstract:The vicinal 3Jaa and 3Jee spin-spin coupling constants of a number of deuterated trans-1,2-disubstituted cyclohexenes and the ΔH and ΔS values of the conformational equilibria of these compounds have been determined by computer optimisation of the 3J(HH) = f(T) function. Compounds with —CF3 and CCl3 substituents were shown to have an enhanced proportion of the diaxial conformer.
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