Materials Science Beamline SOFT XRAY SPECTROSCOPY OF GLYCYLGLYCINE

Materials Science Beamline SOFT X-RAY SPECTROSCOPY OF GLYCYL-GLYCINE ADSORBED ON Cu(110) SURFACE Victor Lyamayev Sincrotrone Trieste, Basovizza (Trieste), Italy

Materials Science Beamline Biomolecule-metal interface Fundamental for many fields Bio sensors, biocompatibility of implants Origin of life OSU, Columbus, June 21 -25, 2010

Materials Science Beamline Why synchrotron radiation? • broad energy range (22 -800 e. V) • high resolving power (2000 -4000) • high flux (3 x 108 -3 x 1010 photons/s) www. elettra. trieste. it • linearly polarized (>90%) OSU, Columbus, June 21 -25, 2010 Materials Science Beamline

Materials Science Beamline X-ray Photoelectron Spectroscopy (XPS) XPS peaks are shifted due to different chemical state of the atom (“chemical shift”) OSU, Columbus, June 21 -25, 2010

Materials Science Beamline Near Edge X-ray Absorption Fine Structure (NEXAFS) Probing empty MO OSU, Columbus, June 21 -25, 2010

Materials Science Beamline Density Functional Theory (DFT) Glycyl-Glycine (Gly-Gly) DFT model of Gly-Gly on the Cu(110) surface OSU, Columbus, June 21 -25, 2010

Materials Science Beamline Calculated adsorption geometries of Gly-Gly on Cu(110) OSU, Columbus, June 21 -25, 2010

Materials Science Beamline Increased due to zwitterions -> C 1 s XPS spectra: experiment (points), theory (solid lines) OSU, Columbus, June 21 -25, 2010

Materials Science Beamline 50% of zwitterions -> N 1 s XPS spectra: experiment (points), theory (solid lines) OSU, Columbus, June 21 -25, 2010

Materials Science Beamline 0. 1 e. V broader -> O 1 s XPS spectra: experiment (points), theory (solid lines) OSU, Columbus, June 21 -25, 2010

Materials Science Beamline NCONH-> N-H bond of CONH -> N K-edge NEXAFS spectra of 1 ML of Gly-Gly measured at grazing (GI) and normal (NI) incidence OSU, Columbus, June 21 -25, 2010

Materials Science Beamline OCONH + OCOO -> OCOO…Cu -> O K-edge NEXAFS spectra of 1 ML of Gly-Gly measured at grazing (GI) and normal (NI) incidence OSU, Columbus, June 21 -25, 2010

Materials Science Beamline Proposed adsorption geometries of 1 ML of Gly-Gly OSU, Columbus, June 21 -25, 2010

Materials Science Beamline C 1 s XPS spectra of 0. 4 ML of Gly-Gly: experiment (points), theory (solid lines) OSU, Columbus, June 21 -25, 2010

Materials Science Beamline <- due to interaction via H N 1 s XPS spectra of 0. 4 ML of Gly-Gly: experiment (points), theory (solid lines) OSU, Columbus, June 21 -25, 2010

Materials Science Beamline O 1 s XPS spectra of 0. 4 ML of Gly-Gly: experiment (points), theory (solid lines) OSU, Columbus, June 21 -25, 2010

Materials Science Beamline N and O K-edge NEXAFS spectra of 0. 4 ML of Gly-Gly measured at grazing (GI) and normal (NI) incidence OSU, Columbus, June 21 -25, 2010

Materials Science Beamline Proposed adsorption geometries of 0. 4 ML of Gly-Gly OSU, Columbus, June 21 -25, 2010

Materials Science Beamline I’d like to thank… Vitaliy Feyer Oksana Plekan Kevin C. Prince Materials Science Beamline at Elettra, Trieste, Italy V. Carravetta Institute of Chemical Physical Processes, Pisa, Italy …and thank you for your attention. OSU, Columbus, June 21 -25, 2010