Extended X-Ray Absorption Fine Structure from Hydrogen Atoms in Water

Abstract
We report the first quantitative measurement of extended x-ray absorption fine structure (EXAFS) from hydrogen atoms. A single oscillation is observed from gaseous water consistent with the location of the covalently bonded hydrogen in H2O. The experimental phase and amplitude of the oscillation are in excellent agreement with curved wave multiple scattering calculations for isolated water molecules. With this determination of the O-H scattering phase shift we have quantified the covalent hydrogen bond distance (0.95±0.03) in liquid water, thus demonstrating that hydrogen EXAFS can become a valuable complement to existing structural methods in chemistry and biology.