Abstract
Correlation between quadrupolar interactions of deuterons and chemical-shielding interactions of spin-1/2 in spatial proximity by 2D solid-state NMR provides structural information, such as torsional angles and relative orientations of molecular fragments. The correlation is established by cross-polarization under slow magic-angle sample spinning over the whole frequency ranges of both nuclei virtually uniformly. We demonstrate an application to glycine, where the torsional angle around the CO–C α bond is evaluated by measuring the relative orientations between the 13 CO chemical-shielding-anisotropy tensor and the two 2 D α quadrupolar tensors. The technique can be used to characterize the conformation of synthetic and bio-polymers.
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