The R-Alpha Structures Of Propyne Oriented In 2 Different Liquid-Crystals

The 1H spectra with natural abundance 13C satellites of propyne partially oriented in the liquid crystals ZLI 1167 and Merck Phase IV were analysed and molecular structures determined from the direct couplings corrected for harmonic vibrations. The resulting internuclear distance ratios and angles agree with microwave data and the solvent effects are small, i.e. of the order of 1% and 0.5° in the methyl group, and 2% in the acetylenic moiety.