IR, Raman and SERS spectra of 2-phenoxymethylbenzothiazole.
Spectrochim Acta A Mol Biomol Spectrosc
; 74(1): 132-9, 2009 Sep 15.
Article
em En
| MEDLINE
| ID: mdl-19524483
ABSTRACT
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.
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Análise Espectral Raman
/
Benzotiazóis
Idioma:
En
Ano de publicação:
2009
Tipo de documento:
Article