P. Lesot et al., DISCRIMINATION AND ANALYSIS OF THE NMR-SPECTRA OF ENANTIOMERS DISSOLVED IN CHIRAL LIQUID-CRYSTAL SOLVENTS THROUGH 2D CORRELATION EXPERIMENTS, Liquid crystals, 21(3), 1996, pp. 427-435
The discrimination and analysis of the NMR spectra of optically active
molecules dissolved in chiral liquid crystal solvents through 2D corr
elation experiments is studied. The technique allows the identificatio
n of the line positions of each enantiomer, thus providing a notable s
implification of the spectral analysis. The 2D HOHAHA and multiple-qua
ntum experiments are investigated and discussed. The potential of the
method is illustrated using a sample of (+/-) 3,3,3-trichloroepoxyprop
ane dissolved in a thermotropic cholesteric solvent. The case of chira
l molecules bearing a fluorine or deuterium nucleus has also been stud
ied. In addition, it is shown that 2D heteronuclear correlation experi
ments are powerful methods for correlating carbon and proton spectral
data of two enantiomers. A specific example is given through (+/-) 2-b
romopropanoic acid dissolved in a lyotropic polypeptide liquid crystal
. Spectral parameters of each enantiomer are calculated for the differ
ent examples.