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Hydrogen Bond Studies

The quadrupole splittings in the deuterium NMR spectrum from single crystals of deuterated sodium Perchlorate monohydrate, NaClO4-D2O, have been measured at 25 °C and - 55 °C. At room temperature, the 180° flip frequency of the D2O molecules is large compared to the difference between the splittings for the two deuterons. The average quadrupole coupling constant (e2 q Q/h) and asymmetry parameter η are 134.1(4) kHz and 0.621(5), respectively. At -55 °C, the electric field gradient tensors for each of the two deuterons were observed corresponding to slowly flipping water molecules, and e2 qQ/h and η for the two deuterons are 231.5(6) and 226.7(6) kHz and 0.196(4) and 0.195(5), respectively. The results indicate that the hydrogen positions in NaClO4-H2O are dynamically disordered