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Stereochemical studies: XVII—the proton coupling constants and conformational equilibria of trans ‐1,2‐disubstituted cyclohexenes
Author(s) -
Viktorova N. M.,
Knyazev S. P.,
Zefirov N. S.,
Gavrilov Yu. D.,
Nikolaev G. M.,
Bystrov V. F.
Publication year - 1974
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270060411
Subject(s) - vicinal , conformational isomerism , coupling constant , chemistry , deuterium , proton , coupling (piping) , stereochemistry , spin (aerodynamics) , computational chemistry , crystallography , molecule , thermodynamics , physics , materials science , organic chemistry , quantum mechanics , metallurgy
The vicinal 3 J aa and 3 J ee spin‐spin coupling constants of a number of deuterated trans ‐1,2‐disubstituted cyclohexenes and the Δ H and Δ S values of the conformational equilibria of these compounds have been determined by computer optimisation of the 3 J (HH) = f ( T ) function. Compounds with —CF 3 and CCl 3 substituents were shown to have an enhanced proportion of the diaxial conformer.
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