Berlin 2014 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 9: Theory 2: Molecular Dynamics & Quantum Chemistry
MO 9.6: Vortrag
Dienstag, 18. März 2014, 15:15–15:30, BEBEL SR144
A route via X-ray emission spectroscopy for monitoring electron configuration during nuclear dynamics in excited molecules — •Hossein Ebadi1 and Simone Techert1,2,3 — 1Structural dynamics of (bio)chemical Systems, MPI-BPC, Am Fassberg 11, 37077 Goettingen, Germany — 2Structural dynamics of (bio)chemical Systems, DESY, Notkestrasse 85, 22607 Hamburg, Germany — 3Institute for X-ray physics, Goerg-August University,37077 Goettingen, Germany
Core-hole spectroscopy, sensitive to the electron configuration of molecules and solids [1,2], has been traditionally used to get insight in the structure of matter from molecular to macroscopic scales. In this study, the main characteristics of azobenzene isomers, as a benchmark system for fundamental and applied studies in molecular electronics [3,4], are identified in the X-ray emission spectrum. The electron configuration has been examined using the shape of orbitals and via their contribution in the excited-state of UV-Vis regime. By applying an appropriate coordinate-to-time mapping [5,6], the change of electron configuration during the isomerization can be probed using time-resolved X-ray emission spectroscopy. [1] F. de Groot and A. Kotani, "Core level spectroscopy of solids", CRC Press, London, New York (2008). [2] I. Josefsson et al., J. Phys. Chem. Lett., 3, 3565 (2012). [3] J. M. Mativetsky et al., J. Am. Chem. Soc., 130, 9192 (2008). [4] A. Toniolo et al., J. Chem. Phys., 123, 234308 (2005). [5] H. Ebadi, C. H. Keitel, and K. Z. Hatsagortsyan, Phys. Rev. A, 83, 063418 (2011). [6] H. Ebadi, J. Opt. Soc. Am. B, 29, 2503 (2012).