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• W2014008769 abstract "Adsorption of (S)-histidine on Cu(110), and Cu(110) modified by adsorbed oxygen, has been studied by reflection absorption infrared spectroscopy (RAIRS). The molecular form and the orientation of the histidine molecule were deduced from experimental RAIRS data; moreover, vibrational spectra were simulated with a molecular mechanics force field (MMFF) calculation to address vibrational modes and the geometry of the adsorbate. The molecule preferentially binds to the surface in its HHis- molecular form. On the metallic Cu(110) surface, the adsorption occurs via the carboxylate group (COO-), with the two oxygen atoms equidistant from the surface, and via the dehydrogenated nitrogen of the imidazole group; the latter adopts an upright position with respect to the copper surface. The amino group (NH2) is likely to be maintained close to the surface, thus facilitating the interaction with the metal. Preadsorption of oxygen (θ ≈ 0.3) on the copper surface induces minor changes in the molecular orientation: the ring tends to be less upright than in the absence of oxygen; the ring now interacts via its NH group as deduced from RAIRS and MMFF calculations. The molecule does not reorient with increasing oxygen coverage (θ ≈ 0.6), and no surface blocking was observed upon oxygen adsorption; both the orientation and the amount of histidine only slightly vary when the oxygen coverage is increased." @default.
• W2014008769 created "2016-06-24" @default.
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• W2014008769 date "2003-09-10" @default.
• W2014008769 modified "2023-09-30" @default.
• W2014008769 title "Adsorption of (<i>S</i>)-Histidine on Cu(110) and Oxygen-Covered Cu(110), a Combined Fourier Transform Reflection Absorption Infrared Spectroscopy and Force Field Calculation Study" @default.
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• W2014008769 doi "https://doi.org/10.1021/jp035355u" @default.
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