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Träfflista för sökning "WFRF:(Huang Congcong) srt2:(2013)"

Sökning: WFRF:(Huang Congcong) > (2013)

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1.
  • Chen, Chen, et al. (författare)
  • Solvation structures of protons and hydroxide ions in water
  • 2013
  • Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 138:15, s. 154506-
  • Tidskriftsartikel (refereegranskat)abstract
    • X-ray Raman spectroscopy (XRS) combined with small-angle x-ray scattering (SAXS) were used to study aqueous solutions of HCl and NaOH. Hydrated structures of H+ and OH- are not simple mirror images of each other. While both ions have been shown to strengthen local hydrogen bonds in the hydration shell as indicated by XRS, SAXS suggests that H+ and OH- have qualitatively different long-range effects. The SAXS structure factor of HCl (aq) closely resembles that of pure water, while NaOH (aq) behaves similar to NaF (aq). We propose that protons only locally enhance hydrogen bonds while hydroxide ions induce tetrahedrality in the overall hydrogen bond network of water.
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2.
  • Skinner, Lawrie B., et al. (författare)
  • Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q-range
  • 2013
  • Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 138:7
  • Tidskriftsartikel (refereegranskat)abstract
    • Four recent x-ray diffraction measurements of ambient liquid water are reviewed here. Each of these measurements represents a significant development of the x-ray diffraction technique applied to the study of liquid water. Sources of uncertainty from statistical noise, Q-range, Compton scattering, and self-scattering are discussed. The oxygen-hydrogen contribution to the measured x-ray scattering pattern was subtracted using literature data to yield an experimental determination, with error bars, of the oxygen-oxygen pair-distribution function, g(OO)(r), which essentially describes the distribution of molecular centers. The extended Q-range and low statistical noise of these measurements has significantly reduced truncation effects and related errors in the g(OO)(r) functions obtained. From these measurements and error analysis, the position and height of the nearest neighbor maximum in g(OO)(r) were found to be 2.80(1) angstrom and 2.57(5) respectively. Numerical data for the coherent differential x-ray scattering cross-section I-X(Q), the oxygen-oxygen structure factor S-OO(Q), and the derived g(OO)(r) are provided as benchmarks for calibrating force-fields for water.
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