Solvent dependence of the molecular structures of furan and thiophene determined by NMR of partially oriented molecules

Abstract
The molecular rα structures of furan and thiophene dissolved in liquid crystals Merck ZLI 1167 and Phase IV were determined from the linear combinations of dipolar HH and CH coupling constants derived from the 1H and 1H13C satellite NMR spectra. Significant variations with the liquid crystal solvent are observed for both molecular structures. The deformations are particularly large in the case of thiophene and, surprisingly, in the normally well behaved ZLI 1167 liquid crystal.