The NMR spectra of samples dissolved in liquid-crystalline phases. Automatic analysis with the aid of multiple-quantum spectra

A new strategy is described for analyzing the NMR spectra of molecules dissolved in liquid-crystalline phases, The multiple-quantum spectra which involve a change in the magnetic quantum number m by N - 1, where N is the maximum possible, are recorded and analyzed automatically starting from a parameter set having all the spectral parameters set to zero. The results of such an analysis are then used as the starting parameters in an analysis of the single-quantum spectrum using an automatic analysis procedure. The method is illustrated by analyses of the proton spectra of bromobenzene (five spins) and ethynylbenzene and naphthaquinone (six spins) dissolved in nematic solvents. (C) 1996 Academic Press, Inc.