Journal of Chemical Physics, Vol.112, No.19, 8567-8572, 2000
Three-dimensional measurements of the nuclear magnetic resonance chemical shift and a new analytic data transform for the shift anisotropy
Three-dimensional measurements of the C-13 nuclear magnetic resonance (NMR) chemical shift in methyl-alpha-D-glucopyranoside are presented. One dimension measures the isotropic shift under ordinary magic angle spinning. In the remaining two dimensions, the chemical shift anisotropy (CSA) is recoupled in two complementary ways. An analytic transform is constructed which takes the time-domain data directly to the three isotropic shift parameters, which can then be read off the resulting plot. The possibility of using such an experiment to resolve chemical sites by the CSA alone in powdered samples is discussed.