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Thioglycolic acid on the gold (111) surface and Raman vibrational spectra

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arxiv 1002.1301 v1 pith:C5SNW4C5 submitted 2010-02-05 cond-mat.mtrl-sci

Thioglycolic acid on the gold (111) surface and Raman vibrational spectra

classification cond-mat.mtrl-sci
keywords moleculesurfaceacidhschthioglycolicatomcoohdown
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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The interaction of thioglycolic acid with the Au(111) surface is investigaged, and it is found that at the low coverage the molecule lies down on the substrate. If the mercaptan-hydrogen atom is eliminated, the resulting SCH_2COOH molecule is randomly oriented on the surface. If the carboxylic acid group in the HSCH_2COOH molecule is deprotonated instead, the HSCH_2COO^ molecule lies down on the surface. However, when the mercaptan-hydrogen atom in the HSCH_2COO^- molecule is removed, the resulting SCH_2COO^- molecule rises up to a certain level on the substrate. The calculated Raman vibrational spectra decipher which compounds and atomic displacements contribute to the corresponding frequencies. We thus propose a consistent mechanism for the deposition of thioglycolic acid on the Au(111) surface.

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