Identification of valence electronic states of aqueous acetic acid in acid-base equilibrium using site-selective X-ray emission spectroscopy

Phys Chem Chem Phys. 2009 Oct 21;11(39):8676-9. doi: 10.1039/b910039c. Epub 2009 Jul 22.

Abstract

Occupied valence electronic structures in the neutral and the anionic forms of aqueous acetic acid and their pH dependence under ambient condition are identified for the first time exploiting the site-selectivity of resonant X-ray emission spectroscopy (XES) in combination with calculation based on density functional theory (DFT).

MeSH terms

  • Acetic Acid / chemistry*
  • Computer Simulation
  • Electrons*
  • Hydrogen-Ion Concentration
  • Spectrometry, X-Ray Emission
  • Water / chemistry

Substances

  • Water
  • Acetic Acid