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Related Experiment Videos

Extended X-Ray absorption fine structure from hydrogen atoms in water

Wilson1, Tobin, Ankudinov

  • 1Department of Chemistry, University of California at Berkeley, Berkeley, California 94720, USA.

Physical Review Letters
|November 4, 2000
PubMed
Summary

Researchers quantitatively measured extended x-ray absorption fine structure (EXAFS) from hydrogen atoms for the first time. This breakthrough quantifies hydrogen bond distances in water, offering a new tool for chemistry and biology.

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Area of Science:

  • Chemical Physics
  • Materials Science
  • Spectroscopy

Background:

  • Extended X-ray Absorption Fine Structure (EXAFS) is a powerful technique for determining atomic distances.
  • Traditionally, EXAFS is limited to heavier elements, excluding light elements like hydrogen.
  • Accurate measurement of hydrogen bonds is crucial in chemistry and biology.

Purpose of the Study:

  • To report the first quantitative measurement of EXAFS from hydrogen atoms.
  • To determine the O-H scattering phase shift for hydrogen.
  • To quantify the covalent hydrogen bond distance in liquid water.

Main Methods:

  • Utilized extended x-ray absorption fine structure (EXAFS) spectroscopy.
  • Collected EXAFS data from gaseous water (H2O).

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  • Performed curved wave multiple scattering calculations for isolated water molecules.

    • Main Results:

    • Observed a single oscillation in EXAFS from gaseous water, consistent with covalently bonded hydrogen.
    • Experimental EXAFS phase and amplitude showed excellent agreement with theoretical calculations.
    • Quantified the covalent hydrogen bond distance in liquid water as 0.95 ± 0.03 Å.

    Conclusions:

    • Demonstrated the feasibility of hydrogen EXAFS for structural analysis.
    • Established hydrogen EXAFS as a valuable complement to existing structural methods.
    • Opened new avenues for studying hydrogen bonding in chemical and biological systems.