Electron binding energies of hydrated H3O+ and OH-: photoelectron spectroscopy of aqueous acid and base solutions combined with electronic structure calculations.
نویسندگان
چکیده
The electronic structure of hydrated H3O+ and OH- is probed in a water jet by photoelectron spectroscopy employing 100 eV photons. The first ionization potential for OH- at 9.2 eV and the second ionization potential for H3O+ at 20 eV are resolved, corresponding to the removal of an electron from the 2ppi highest occupied molecular orbital and from the 1e orbital, respectively. These assignments are supported by present computational results based on a combination of molecular dynamics and ab initio calculations.
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عنوان ژورنال:
- Journal of the American Chemical Society
دوره 128 12 شماره
صفحات -
تاریخ انتشار 2006