DETERMINATION OF THE R-ALPHA-STRUCTURE OF PARTIALLY ORIENTED MONOCHLOROBENZENE UTILIZING THE C-13 SATELLITES IN THE PROTON NMR-SPECTRUM

The proton and the carbon-13 satellite spectra of partially oriented monochlorobenzene have been analysed. The force field reported in the literature is used to calculate the harmonic corrections of the dipolar coupling constants making it possible to determine the rα-structure of the molecule. Carbon-carbon, carbon-proton and proton-proton internuclear distance ratios as well as bond angles are reported. The molecular structure has been found to depend upon the liquid crystal solvent and to deviate from the gas value, the variations of distance ratios being of the order of 1%. © 1979.