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

C Yohannan Panicker; Hema Tresa Varghese; Daizy Philip; Helena I S Nogueira; Katerina Castkova

doi:10.1016/j.saa.2006.09.042

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

Spectrochim Acta A Mol Biomol Spectrosc. 2007 Aug;67(5):1313-20. doi: 10.1016/j.saa.2006.09.042. Epub 2006 Oct 14.

Authors

C Yohannan Panicker¹, Hema Tresa Varghese, Daizy Philip, Helena I S Nogueira, Katerina Castkova

Affiliation

¹ Department of Physics, TKM College of Arts and Science, Kollam, Kerala 691005, India. cyphyp@rediffmail.com

PMID: 17196427
DOI: 10.1016/j.saa.2006.09.042

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'.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Esters / chemistry*
Models, Molecular
Nitro Compounds / chemistry*
Scattering, Radiation*
Spectroscopy, Fourier Transform Infrared
Spectrum Analysis, Raman*
Vibration

Substances

Esters
Nitro Compounds
methyl(2-methyl-4,6-dinitrophenylsulfanyl)ethanoate