Electron binding energies of hydrated H3O+ and OH-: photoelectron spectroscopy of aqueous acid and base solutions combined with electronic structure calculations.
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.
Winter
Bernd
B
Max-Born-Institut für Nichtlineare Optik und Kurzzeitspektroskopie, Max-Born-Str. 2A, D-12489 Berlin, Germany.
Faubel
Manfred
M
Hertel
Ingolf V
IV
Pettenkofer
Christian
C
Bradforth
Stephen E
SE
Jagoda-Cwiklik
Barbara
B
Cwiklik
Lukasz
L
Jungwirth
Pavel
P