AVS 56th International Symposium & Exhibition
    Surface Science Wednesday Sessions
       Session SS1-WeA

Paper SS1-WeA4
Proton and Water Self-diffusion in Thin Layers of Amorphous Solid Ice Studied by FTIR and DFT Calculations

Wednesday, November 11, 2009, 3:00 pm, Room M

Session: Water/Surface Interactions & Environmental Chemistry II
Presenter: P.E. Uvdal, Lund University, Sweden
Authors: P.E. Uvdal, Lund University, Sweden
J.E. Blomquist, Lund University, Sweden
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We have studied the H/D exchange in both two- and three-dimensional thin layers of amorphous solid ice using infrared vibrational spectroscopy. Intact molecules are grown in a layer by layer fashion, on Cu(100), allowing the formation of isotopically uniform sandwiched layers at 84 K. By careful pretreatment of the surface we can control the proton diffusion, thereby allowing for a separation and a characterization of the two diffusion processes. The role of the Grotthuss mechanism for the observed H/D exchange will be discussed. Using infrared vibrational spectroscopy we can monitor the isotopic mix of water molecules both at the ice surface as well as in the solid ice. A detailed understanding of the vibrational data is obtained with the aid of DFT cluster calculations.