IR, Raman and SERS Spectra of 2-(Methoxycarbonylmethylsulfanyl)-3,5-dinitrobenzene Carboxylic Acid

resumo

2-(Methoxycarbonylmethylsulfanyl)-3,5-dinitrobenzenecarboxylic acid was prepared by nucleophilic substitution. FT-IR and FT-Raman spectra of 2-(methoxycarbonylmethylsulfanyl)-3,5dinitrobenzenecarboxylic 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.

palavras-chave

SURFACE-ENHANCED RAMAN; DENSITY-FUNCTIONAL THEORY; 3,5-DINITROSALICYLIC ACID; FT-RAMAN; SUBSTITUTED NITROBENZENES; MONOSUBSTITUTED BENZENES; VIBRATIONAL-SPECTRA; MAGNETIC-PROPERTIES; CRYSTAL-STRUCTURE; INFRARED SPECTRA

categoria

Chemistry

autores

Raj, A; Raju, K; Varghese, HT; Granadeiro, CM; Nogueira, HIS; Panicker, CY

nossos autores

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