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IR, Raman and SERS spectra of 5‐sulphosalicylic acid dihydrate
Author(s) -
Varghese Hema Tresa,
Panicker C. Yohannan,
Philip Daizy
Publication year - 2007
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1644
Subject(s) - raman spectroscopy , molecule , raman scattering , chemistry , infrared , spectral line , density functional theory , molecular vibration , adsorption , crystallography , photochemistry , computational chemistry , optics , organic chemistry , physics , astronomy
IR, Raman and surface‐enhanced Raman scattering (SERS) spectra of 5‐sulphosalicylic acid were recorded and analysed. The vibrational wavenumbers were computed by density functional theoretical (DFT) method using B3LYP/6–31G* basis. The bands due to the stretching modes CO, CS and SO 2 are intense in the SERS spectrum. The CH stretching mode also appears in the SERS spectrum. The molecule is found to adsorb through both the carboxyl and sulphonyl groups. A possible tilted orientation of the molecule is suggested. Copyright © 2006 John Wiley & Sons, Ltd.