Raman, IR and SERS spectra of methyl(2-methyl-4,6-dinitrophenylsulfanyl)ethanoate

abstract

Methyl(2-methyl-4,6-dinitrophenylsulfanyl)ethanoate was prepared by nucleophilic substitution. FT-IR and FT-Raman spectra of methyl(2-methyl-4,6-dinitrophenylsulfanyl)ethanoate were recorded and analyzed. Surface-enhanced Raman scattering (SERS) spectrum was recorded on a silver colloid. The vibrationl 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. The molecule is adsorbed on the silver surface with the benzene ring in a 'tilted orientation'. (C) 2006 Elsevier B.V. All rights reserved.

keywords

SURFACE-ENHANCED RAMAN; SUBSTITUTED NITROBENZENES; MONOSUBSTITUTED BENZENES; INFRARED SPECTRA; SELECTION-RULES; SCATTERING SERS; GOLD ELECTRODES; SILVER COLLOIDS; FT-RAMAN; SPECTROSCOPY

subject category

Spectroscopy

authors

Panicker, CY; Varghese, HT; Philip, D; Nogueira, HIS; Castkova, K

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