title: 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'.
authors.affiliation: Department of Physics, TKM College of Arts and Science, Kollam, Kerala 691005, India. cyphyp@rediffmail.com
authors.forename: C Yohannan
authors.initials: CY
authors.lastname: Panicker
authors.forename: Hema Tresa
authors.initials: HT
authors.lastname: Varghese
authors.forename: Daizy
authors.initials: D
authors.lastname: Philip
authors.forename: Helena I S
authors.initials: HI
authors.lastname: Nogueira
authors.forename: Katerina
authors.initials: K
authors.lastname: Castkova
mesh_terms: D004952:Esters / Q000737:chemistry*; D008958:Models, Molecular; D009574:Nitro Compounds / Q000737:chemistry*; D012542:Scattering, Radiation; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman; D014732:Vibration
chemical_list: D004952:Esters; D009574:Nitro Compounds; C522984:methyl(2-methyl-4,6-dinitrophenylsulfanyl)ethanoate