, Volume 74, Issue 1 Supplement, pp s1670-s1672

Isotopic quantum correction to liquid methanol at -30 °C

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Abstract.

Hydrogen/deuterium (H/D) substitution of molecular liquids in neutron diffraction is a powerful tool for structure determination. However, recent high-energy X-ray studies have found observable differences in the structures of many H and D liquids at the same temperature. In some cases this isotopic quantum effect can be corrected for by measuring the D sample at a slightly different temperature to the H sample. The example of hydroxyl isotopic substitution in liquid methanol at -30 °C is presented. The magnitude of the quantum effect is shown to be significant when compared to the size of the first-order isotopic neutron-difference function.

Received: Received: 13 July 2001 / Accepted: 11 December 2001
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ID="*"Corresponding author. (Fax: +1-630/252-4163, E-mail: benmore@anl.gov)