Theoretical and Experimental Chemistry

, Volume 36, Issue 4, pp 194–199 | Cite as

Geometric isotope effect in hydrogen-containing crystals of the KH2PO4 type

  • E. A. Shadchin
  • A. I. Barabash


The geometric isotope effect in hydrogen-containing crystals of the KH2PO4 type has been investigated. A mechanism is proposed which leads to a change in the lengths of hydrogen bonds on replacing a proton with a deuteron. It is shown that, to obtain agreement between experimental and theoretical results within the limits of the three-dimensional model for describing the hydrogen bonds based on the Einstein approximation, it is necessary to take into account interactions between the chains of hydrogen bonds in the crystals.


Hydrogen Bond Critical Length Morse Potential Account Interaction Hydrogen Bond Chain 
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© Kluwer Academic/Plenum Publishers 2000

Authors and Affiliations

  • E. A. Shadchin
  • A. I. Barabash

There are no affiliations available

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