Resolving two inequivalent sites with deuterium MAS NMR

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Deuterium MAS NMR spectra for K2HC03, 2HI03, Na2HC03, K2HS04, a mixture of K2HC03 and 2HI03, and a mixture of K2HCO3 and Na 2HC03 were obtained. The MAS NMR spectra were compared with simulations based on the Herzfeld-Berger method and on the known deuterium quadrupolar coupling constant and asymmetry parameter obtained by 1H /2H double-resonance NQR spectroscopy. The resolution of two inequivalent deuterium sites in the mixtures is described by the quality of the fit, as assessed by a plot of the residuals and the value of χv2. The ability to resolve two different deuterium sites depends upon the magnitude of the difference in the quadrupole coupling constant relative to the spin rate; small differences in the quadrupole coupling constants require slow spin rates. © 1992.

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Journal of Magnetic Resonance (1969)

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