Dresden 2006 – wissenschaftliches Programm
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CPP: Chemische Physik und Polymerphysik
CPP 16: Electronic Structure and Spectroscopy II
CPP 16.5: Vortrag
Mittwoch, 29. März 2006, 15:45–16:00, ZEU 160
The electronic structure of liquids studied by resonant X-ray emission (RXES) and X-ray absorption spectroscopy (XAS) in the soft X-ray range — •Oliver Fuchs1, L. Weinhardt1, F. Maier1, E. Umbach1, M. Bär2, T. Hofmann2, J. White2, V. Marepally2, C. Heske2, M. Zharnikov3, M. Grunze3, and J.D. Denlinger4 — 1Exp. Physik II, Uni Würzburg — 2Dept. of Chem., Univ. of Nevada, Las Vegas — 3Angew. Physikal. Chemie, Uni Heidelberg — 4ALS, Berkeley
The investigation of liquids by means of soft x-ray techniques is a technically challenging task since it requires a third-generation synchrotron source combined with a high-efficiency grating spectrometer, and a wet cell with an ultra-thin window separating the liquid from ultra-high vacuum. With our flow-through wet cell we have investigated the electronic structure of various liquids including H2O, D2O, NaOH, NaOD, ethanol, acetic acid, and various aqueous solutions. The spectra reveal details on the hydrogen bonding network of water and its temperature dependence. The investigation of aqueous solutions reveals on the one hand the effect of the solutes on the hydrogen bonds of water, and on the other hand the influence of the hydration shell on the electronic structure of the solutes. Moreover, molecular dynamics within the time scale of the core hole lifetime (a few femtoseconds) leads to isotope effects in both, RXES and XAS spectra, and can be described by theoretical molecular dynamics simulations.