Raman, IR and SERS spectra of methyl(2-methyl-4,6-dinitrophenylsulfanyl)ethanoate.
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'.
Panicker
C Yohannan
CY
Department of Physics, TKM College of Arts and Science, Kollam, Kerala 691005, India. cyphyp@rediffmail.com
Varghese
Hema Tresa
HT
Philip
Daizy
D
Nogueira
Helena I S
HI
Castkova
Katerina
K
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
D004952:Esters; D009574:Nitro Compounds; C522984:methyl(2-methyl-4,6-dinitrophenylsulfanyl)ethanoate