Abstract
The structure and dynamics of the limiting hydrated form of disodium hydrogen 12-tungstophosphoric acid (HNaPW) were investigated as a function of temperature using solid-state 1H, 23Na, and 31P nuclear magnetic resonance spectroscopy, infrared spectroscopy, and X-ray analysis. The 1H nonspinning (NS) and magic-angle spinning (MAS) NMR results indicate that the limiting hydrated form of HNaPW has two types of protons. One type of proton corresponds to lone protons isolated from all other protons in the material. The second type of proton corresponds to an isolated proton pair of a water molecule. 1H NS NMR spectra recorded from 168 to 393 K, in combination with theoretical simulations, show that the proton dynamics of the water molecule can be characterized by four temperature ranges above 168 K, the temperature corresponding to a rigid lattice. From 168 to 203 K, proton motion is minimal; from 203 to 293 K, the proton motion is dominated by rotational diffusion; from 293 to 383 K, both translational and ...
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