Berlin 2005 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Downloads | Hilfe

O: Oberflächenphysik

O 36: Postersitzung (Elektronische Struktur, Grenzfl
äche fest-flüssig, Halbleiteroberfl
ächen und -grenzfl
ächen, Nanostrukturen, Oberfl
ächenreaktionen, Teilchen und Cluster, Struktur und Dynamik reiner Oberfl
ächen)

O 36.5: Poster

Montag, 7. März 2005, 15:00–18:00, Poster TU F

Surfaces of Aqueous Salt Solutions, Bases and Acids — •B. Winter¹, R. Weber¹, C. Pettenkofer², W. Freyer¹, I. V. Hertel¹, M. Faubel³, S. E. Bradforth⁴, L. Vrbka⁵, and P. Jungwirth⁵ — ¹Max-Born-Institut, Berlin — ²Hahn-Meitner-Institut, Berlin — ³MPI für Strömungsforschung, Göttingen — ⁴University of Southern California, Los Angeles — ⁵Academy of Science, Prague

We report on the measured and calculated lowest electron binding energies (and distributions) of aqueous alkali cations and halide anions. The experimental results, obtained by EUV photoemission (PE) using a liquid microjet, are complemented by ab initio calculations, at the MP2 and CCSD(T) level, of the ionization energies of these prototype ions in the aqueous phase. Adiabatic models perform well only for cationic solvation, in which case there is little change of the water geometry upon photoionization. An explicit charge model gives good results for aqueous anions. For the first time the spectra of protonated and deprotonated water, H3O+ and OH-, have been recorded in the aqueous phase. As opposed to the NaOH solution spectra, the PE spectra of aqueous acids, H2SO4 and HNO3, are rather complex, leaving their interpretation, particularly the spectral fingerprint of the hydrated proton, unclear at this point.