Abstract
Experimental NMR measurements of the deuterium and oxygen relaxation times in neat water (H 2 17O, D 2 17O, D 2 16O) along with experimental/theoretical measurements of the deuterium and oxygen quadrupole coupling constants provide accurate values for the rotational correlation times of neat water over the liquid range. The 17O rotational correlation time in D 2 17O varies from 525 fs at 350 K to 3.21 ps at 275 K; the deuterium correlation time in D 2 16O varies from 700 fs at 350 K to 5.73 ps at 275 K. These results indicate that the motion of water is anisotropic.
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