Regensburg 2004 – wissenschaftliches Programm

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O: Oberflächenphysik

O 44: Elektronische Struktur (Experiment und Theorie) III

O 44.8: Vortrag

Freitag, 12. März 2004, 13:00–13:15, H38

An X-ray absorption (NEXAFS) and resonant inelastic X-ray scattering (RIXS) study of liquid water and aqueous solutions — •O. Fuchs1, L. Weinhardt1, F. Maier1, C. Heske1, E. Umbach1, Y. Zubavichus2, M. Grunze2, M. Odelius3, L.G.M. Pettersson3, A. Nilsson4, J.D. Denlinger5, Z. Hussain5, and R. Follath61Exp. Physik II, Uni Würzburg — 2Angew. Physikal. Chemie, Uni Heidelberg — 3Fysikum, Stockholm University — 4Stanford Synchrotron Radiation Lab — 5ALS, Berkeley — 6BESSY, Berlin

The electronic and geometric structure of liquids and, in particular, of water and aqueous solutions is currently strongly discussed and investigated. Until recently, most experimental results were obtained with neutron and hard X-ray scattering experiments. Recently, soft X-ray spectroscopic methods such as fluorescence-yield NEXAFS (near-edge X-ray absorption fine structure) and RIXS were applied and compared with theoretical DFT calculations and Car-Parinello molecular dynamics simulations. This combination yields complementary information especially about the dynamic hydrogen bond network and the molecular dynamics. A third-generation synchrotron, a highly efficient spectrometer for soft x-rays, and suitably designed wet cells are essential for RIXS experiments on solutions. This talk presents a new spectrometer design consisting of a spherical mirror and a plane variable line spacing grating for the sulfur L2,3, carbon K, nitrogen K, and oxygen K edges, dedicated to the study of biologically relevant molecules. Furthermore, RIXS and NEXAFS measurements for water, heavy water, NaOH solutions (pH 15), and various other aqueous solutions are discussed.

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