Berlin 2014 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 13: Posters 3: Cold Molecules, Helium Nano Droplets, and Experimental Techniques

MO 13.36: Poster

Mittwoch, 19. März 2014, 16:30–18:30, Spree-Palais

The nature of the chemical bond between Carbon and Fluorine in Perfluorocarbons — •Tim Brandenburg1, Marcus Agåker3, Kaan Atak1,2, Mika Pflüger1, Kathrin Aziz-Lange1, Christoph Schwanke1, Tristan Petit1, Jan-Erik Rubensson3, and Emad Flear Aziz1,21Joint Ultrafast Dynamics Lab in Solutions and at Interfaces (JULiq) Helmholtz-Zentrum Berlin für Materialien und Energie, Albert-Einstein-Strasse 15, 12489 Berlin, Germany — 2Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany — 3Department of Physics and Astronomy, Uppsala University, Box 516, SE 751 20 Uppsala, Sweden

Perfluorocarbons are a special family of molecules, which rarely exist in nature due to the high energy required to build the carbon-fluorine bond. The strong electronegative effect of fluorine on neighboring atoms is still awaiting a clear electronic structure picture description. The insight to be gained is proposed to be the origin of the unique functionalities of these systems. We have used soft X-ray XAS/XES/RIXS to draw a full electronic picture of the unoccupied and occupied molecular orbitals in solution. The effect of fluorine was observed and fingerprinted on Perfluorodecalin as a model system. The obtained experimental spectra are explained with ab initio calculations using ORCA.

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