期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 12, 期 12, 页码 2597-2612出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/12/12/303
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High energy electromagnetic radiation scattering techniques have been used to measure the structural differences between light and heavy water: we have studied both intra- and intermolecular effects. These methods and our data analysis are described in detail. We have observed a maximum isotopic effect of 1.6% relative to the magnitude of the x-ray structure factor. Our uncertainties are an order of magnitude smaller than those of previous gamma-ray measurements (Root J H, Egelstaff P A and Hime A 1986 Chem. Phys. 109 5164) and this has permitted us to test accurately the available quantum simulation results on water. The SPC and TIP4P potentials reproduce the measured results in r-space moderately well for intermolecular effects at distances greater than 2.5 Angstrom. These results show that H2O is a slightly more disordered liquid than D2O at the same temperature.
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