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Structure isotope effect in hydrogen-bonded crystals-similarity and difference between deuteration and pressure effect

Ichikawa M.

Polish Journal of Chemistry

1998

Vol. 72, nr 2

230-240

The deuteration effect on the crystal structure and phase transition is briefly reviewed. Some examples of phase diagrams between deuterium content and temperature are discussed in the context of the geometric isotope effect. Similarity and difference between the deuteration effect and the pressure effect are discussed. In the case of the strong H-bonds, like KH2PO4 and squaric acid (H2C4O4), deuteration corresponds to a negative pressure effect. However, there are some differences; H-bond is not necessarily the softest part of the crystal as usually assumed, and the pressure effect is responded by rotation of the PO4 or C4O4 group as well. On the orher hand, in the case of (NH4)3H(SO4)2, deuteration corresponds to a positive pressure and a surprising similarity between deuteration and pressure effect exists in their phase diagrams.