Deuteron magnetic resonance studies. Part 3.—Strontium formate dihydrate-d6

Abstract

The deuteron magnetic resonance spectra of strontium formate dihydrate-d₆ have been recorded at a temperature of 29.5°C. An analysis of the rotation patterns has given deuteron quadrupole coupling constants (and asymmetry parameters) of 167.6 ± 1.0 kHz (0.043 ± 0.006) and 170.3 ± 1.0 kHz (0.025 ± 0.006) for the two crystographically-independent formate ions. The direction cosines of the principal components are not consistent with the X-ray structure analysis of Galigné and Falgueirettes, and only partially in agreement with that of Osaki. If the latter is correct, while the first formate ion appears to be planar, the second is bent out of plane by about 22°. Quadrupole coupling constants and direction cosines for some of the deuterate deuterons have been derived; for one of the two crystallographically independent D₂O molecules, the DÔD angle appears to be little changed from that in the free molecule.