IR, Raman and SERS spectra of 2-phenoxymethylbenzothiazole.
The FT-IR and FT-Raman spectra of 2-phenoxymethylbenzothiazole were recorded and analyzed. The surface enhanced Raman scattering (SERS) spectrum was recorded in a silver colloid. The vibrational wavenumbers of the compound have been computed using the Hartree-Fock/6-31G* basis and compared with the experimental values. The appearance of the Ag-O stretching mode at 237cm(-1) in the SERS spectrum along with theoretically calculated atomic charge density, leads us to suggest that the molecule is adsorbed through the oxygen atom with the molecular plane tilted on the colloidal silver surface. The direction of charge transfer contribution to SERS has been discussed from the frontier orbital theory.
Panicker
C Yohannan
CY
Department of Physics, TKM College of Arts and Science, Kollam, Kerala, India. cyphyp@rediffmail.com
Varghese
Hema Tresa
HT
Raj
Asha
A
Raju
K
K
Ertan-Bolelli
Tugba
T
Yildiz
Ilkay
I
Temiz-Arpaci
Ozlem
O
Granadeiro
Carlos M
CM
Nogueira
Helena I S
HI
D052160:Benzothiazoles / Q000138:chemical synthesis / Q000737:chemistry*; D008958:Models, Molecular; D008962:Models, Theoretical; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods; D013059:Spectrum Analysis, Raman / Q000379:methods*; D013499:Surface Properties
C545073:2-phenoxymethylbenzothiazole; D052160:Benzothiazoles