Rotational isomerism. Part XIX. Nuclear magnetic resonance spectral analysis and conformation of 1,1,1,4,4,4-hexafluorobutane

Abstract

The combined techniques of heteronuclear noise decoupling and carbon-13 satellite analysis were used to provide initial parameters for a complete analysis of the ten-spin system of CF₃·CH₂·CH₂·CF₃. The results demonstrate clearly that the compound exists predominantly in the trans-conformation, both as the neat liquid and in acetone solution. ¹H, ¹⁹F, and ¹³C spectra were observed and the significance of the couplings, particularly the ¹³C couplings, is discussed.