Extended X-Ray absorption fine structure from hydrogen atoms in water 2000

Wilson, and Tobin, and Ankudinov, and Rehr, and Saykally
Department of Chemistry, University of California at Berkeley, Berkeley, California 94720, USA.

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 H 2O. 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 A) in liquid water, thus demonstrating that hydrogen EXAFS can become a valuable complement to existing structural methods in chemistry and biology.

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