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A study of 5‐membered ring conformations by the temperature dependence of the vicinal spin–spin coupling constants. Conformations of cis ‐ and trans ‐isomers of 4‐benzoylamino‐3‐acetoxythiophane
Author(s) -
Lavrukhin B. D.,
Filippova T. M.,
Fedin E. I.
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.1270060703
Subject(s) - vicinal , coupling constant , conformational isomerism , chemistry , spin (aerodynamics) , ring (chemistry) , molecule , coupling (piping) , atmospheric temperature range , range (aeronautics) , computational chemistry , thermodynamics , physics , materials science , quantum mechanics , organic chemistry , composite material , metallurgy
Conformational equilibrium in cis ‐ and trans ‐4‐benzoylamino‐3‐acetoxythiophanes has been analysed on the basis of the temperature dependence of the vicinal spin–spin coupling constants. The conformations of the compounds have been established. It has been shown that in problems of this kind the real accuracy of the experiments corresponds to a wide range of spin‐spin coupling constant values and differences between the conformer energies. To narrow the range, additional data have been used, such as the temperature dependence of other vicinal coupling constants in the same molecule, angular dependence of the vicinal constants, etc.