Journal of the Brazilian Chemical Society · 2009 · 69 citations · 4 references
Natural SciencesChemistryMaterials ScienceSpectroscopySurface ChemistrySurface ScienceInfrared SpectroscopyNanoparticle SurfacesOptical SpectroscopyRaman SpectroscopySurface SpectroscopyVibrational SpectroscopyColloid CharacterizationMetal Surface BondingMetal Surface CharacteristicsRaman Data AnalysisRaman SpectraSurface-enhanced Raman ScatteringSurface-enhanced Raman SpectroscopyVibrational Modes
2-(Methoxycarbonylmethylsulfanyl)-3,5-dinitrobenzenecarboxylic acid was prepared by nucleophilic substitution. FT-IR and FT-Raman spectra of 2-(methoxycarbonylmethylsulfanyl)-3,5-dinitrobenzenecarboxylic acid were recorded and analyzed. Surface enhanced Raman scattering (SERS) spectrum was recorded on a silver colloid. The vibrational wavenumbers were computed by density functional theoretical (DFT) computations at the B3LYP/6-31G* level and they were found to be in good agreement with the experimental values. Significant metal-molecule interaction has been substantiated by the appearance of intense Ag-O mode in the SERS spectrum and this is indicative of the nearness of nitro and carbonyl group to the silver surface. SERS studies suggest a tilted orientation of the molecule at the metal surface.
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