High resolution proton NMR study of gypsum, CaSO4⋅2H2O

Abstract
Multiple pulse nuclear magnetic resonance techniques have been used to measure the proton chemical shift tensor in gypsum, CaSO4⋅2H2O, and to characterize the proton exchange occurring in this material. The orientation of the room‐temperature averaged proton chemical shift tensor is as would be expected from the H2O molecular symmetry alone, and the low temperature results are consistent with a tensor of near axial symmetry along the O–H bond direction (σ=+2.1 ppm, σ (in H2O plane) =−18.4 ppm, and σ (perpendicular to H2O plane) =−17.6 ppm±1 ppm). In addition, a value of 1.54±0.01 Å was determined for the interproton distance within the H2O molecule in gypsum.

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