COLL 142 |
| Andrew J. Gellman1, Joshua Horvath1, Shane Street2, David Sholl1, and Xin Li3. (1) Department of Chemical Engineering, Carnegie Mellon University, 5000 Forbes Ave., Pittsburgh, PA 15213, (2) Department of Chemistry, University of Alabama, Tuscaloosa, AL 35487, (3) Department of Chemistry, Carnegie Mellon University, 5000 Forbes Ave., Pittsburgh, PA 15213 |
| Infrared absorption intensities on surface are highly sensitive to adsorbate orientation. Quantitative determinations of the orientations of CH3CH2O- and CF3CH2O- adsorbed on the Cu(111) surface have been proposed by analysis of FT-IRAS absorption intensities. Both molecules have their C-C bonds roughly parallel to the surface but with their molecular plane tilted towards the surface. These orientations have now been confirmed by using density functional theory to determine the structures of these two species on the Cu(111) surface. The orientations of chiral adsorbates on naturally chiral metal surfaces must be enantiospecific. By careful measurement of the intensities of IR absorption by R-3-methylcyclohexanone on the Cu(643)R and Cu(643)S surfaces we have shown that its orientation at the kinks on these surfaces is dependent on the handedness of the kink structure. |
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Vibrational Analyses of Dry and Wet Surfaces
2:00 PM-5:45 PM, Monday, March 29, 2004 Marriott -- Grand Ballroom H, Oral
Division of Colloid and Surface Chemistry |