Skip to main content

Thank you for visiting nature.com. You are using a browser version with limited support for CSS. To obtain the best experience, we recommend you use a more up to date browser (or turn off compatibility mode in Internet Explorer). In the meantime, to ensure continued support, we are displaying the site without styles and JavaScript.

  • Letter
  • Published:

Can X-ray diffraction distinguish between protium and deuterium atoms?

Abstract

Isotopes are not normally considered to be distinguishable by X-ray crystal structure analysis. There is, of course, no problem as far as neutron diffraction is concerned, as neutron scattering amplitudes vary markedly and irregularly from one nuclide to another1. In particular, the neutron scattering amplitudes of protium and deuterium have opposite signs so that these two isotopes are especially easily identified. Indeed, in a key experiment nearly 20 yr ago, this difference was used together with the anomalous neutron scattering of 6Li to establish the absolute configuration of an enzymatically formed α-monodeuterioglycolic acid2. We discuss here the possibility of distinguishing deuterium from protium by X-ray diffraction on the basis of the difference in the vibrational behaviour of the two isotopic species.

This is a preview of subscription content, access via your institution

Access options

Buy this article

Prices may be subject to local taxes which are calculated during checkout

Similar content being viewed by others

References

  1. Bacon, G. E. Applications of Neutron Diffraction in Chemistry (Pergamon, Oxford, 1963).

    Google Scholar 

  2. Johnson, C. K., Gabe, E. J., Taylor, M. R. & Rose, I. A. J. Am. chem. Soc. 87, 1802–1804 (1965).

    Article  CAS  Google Scholar 

  3. Dunitz, J. D. X-Ray Analysis and the Structure of Organic Molecules, Ch. 1 (Cornell University Press, Ithaca, 1979).

    Google Scholar 

  4. Ottersen, T. & Hope, H. Acta crystallogr. B35, 373–378 (1979).

    Article  Google Scholar 

  5. Stevens, E. D. & Coppens, P. Acta crystallogr. B36, 1864–1876 (1980).

    Article  Google Scholar 

  6. Ottersen, T., Almlöf, J. & Hope, H. Acta crystallogr. B36, 1147–1154 (1980).

    Article  Google Scholar 

  7. Dunitz, J. D., Schweizer, W. B. & Seiler, P. Helv. chim. Acta 66, 134–137 (1983).

    Article  CAS  Google Scholar 

  8. Hope, H. & Ottersen, T. Acta crystallogr. B34, 3623–3626 (1978).

    Article  Google Scholar 

  9. Stevens, E. D. Acta crystallogr. B34, 544–551 (1978).

    Article  Google Scholar 

  10. Savariault, J.-M. & Lehmann, M. S. J. Am. chem. Soc. 102, 1298–1303 (1980).

    Article  CAS  Google Scholar 

  11. Shimanouchi, T. Tables of Molecular Vibraiional Frequencies, Consolidated Vol. I (NSRDS-NBS 39, US Department of Commerce, 1972).

    Google Scholar 

  12. Gawron, O. & Fondy, T. P. J. Am. chem. Soc. 81, 6333–6334 (1959).

    Article  CAS  Google Scholar 

  13. Anet, F. A. L. J. Am. chem. Soc. 82, 994–995 (1960).

    Article  CAS  Google Scholar 

  14. Bau, R. et al. Biochem. biophys. Res. Commun. 115, 1048–1052 (1983).

    Article  CAS  Google Scholar 

  15. Versichel, W. van de Mieroop, W. & Lenstra, A. T. H. Acta crystallogr. B34, 2643–3645 (1978).

    Article  Google Scholar 

  16. Ermer, O. & Dunitz, J. D. Acta crystallogr. A26, 163 (1970).

    Article  Google Scholar 

  17. Seiler, P., Schweizer, W. B. & Dunitz, J. D. Acta crystallogr. (in the press).

  18. Stewart, J. M., Kruger, G. J., Ammon, H. L., Dickinson, C. & Hall, S. R. The X-ray System, Version of June 1972 (Tech. Rep. TR192, University of Maryland, 1972).

    Google Scholar 

  19. Cromer, D. T. & Mann, J. B. Acta crystallogr. A24, 321–324 (1968).

    Article  CAS  Google Scholar 

  20. Stewart, R. F., Davidson, E. R. & Simpson, W. T. J. chem. Phys. 42, 3175–3187 (1965).

    Article  ADS  CAS  Google Scholar 

  21. Johnson, C. K. Ortep Rep. ORNL-3794 (Oak Ridge National Laboratory, Tennessee, 1965).

Download references

Author information

Authors and Affiliations

Authors

Rights and permissions

Reprints and permissions

About this article

Cite this article

Seiler, P., Martinoni, B. & Dunitz, J. Can X-ray diffraction distinguish between protium and deuterium atoms?. Nature 309, 435–438 (1984). https://doi.org/10.1038/309435a0

Download citation

  • Received:

  • Accepted:

  • Issue Date:

  • DOI: https://doi.org/10.1038/309435a0

This article is cited by

Comments

By submitting a comment you agree to abide by our Terms and Community Guidelines. If you find something abusive or that does not comply with our terms or guidelines please flag it as inappropriate.

Search

Quick links

Nature Briefing

Sign up for the Nature Briefing newsletter — what matters in science, free to your inbox daily.

Get the most important science stories of the day, free in your inbox. Sign up for Nature Briefing