Use of two-dimensional correlation between 2H quadrupolar splittings and 13C CSA's for assignment of NMR spectra in chiral nematics

Abstract

The possibility of correlating visible spectral enantiodiscriminations in a single 2D map using simultaneously both quadrupolar and dipolar nuclei is presented and experimentally demonstrated. The method uses deuterium–carbon-13 heteronuclear 2D experiments with ¹³C in natural abundance applied to deuterated compounds oriented in chiral, nematic liquid crystals (PBLG/CHCl₃). Illustrative examples involving chiral and prochiral solute molecules are analysed and discussed. We show that this approach provides an efficient and elegant way to assign deuterium resonances for each enantiomer or enantiotopic directions in prochiral molecules.