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Zusammenfassung:
NMR spectra of the protons in single crystals of Na2Fe(CN)5NO·2H2O (SNP) were measured by FT NMR techniques between 200 and 350 K. The dipolar coupling tensors of the water protons in SNP, their asymmetry parameters and the orientations of the dipole—dipole (DD) tensors relative to the crystal axes were obtained at 200, 290, 305, 315 and 340 K. The proton—proton distance rHH and the angle HOH of the water molecules in SNP were found to be 1.53 Å and 106.5°, respectively. All 1H DD tensors are not axially symmetric. These results are interpreted in terms of librational motions of the H2O molecules in SNP in addition to the well-established flips. At 290 K the proton shielding tensor of the water molecules in SNP has been extracted directly from wide line spectra.
