Isotopic quantum correction to liquid methanol at -30°C

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.