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Spectral fluctuation in SERS spectra of benzodiazepin molecules: The case of oxazepam
Author(s) -
Merlen Alexandre,
Pardanaud Cédric,
Gratzer Katharina,
Coussan Stéphane,
Machon Denis,
Forestier Alexis,
BergéLefranc David,
Phan Trang N. T.,
Hornebecq Virginie
Publication year - 2020
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.5972
Subject(s) - molecule , spectral line , raman spectroscopy , oxazepam , nanoporous , chemistry , analytical chemistry (journal) , surface enhanced raman spectroscopy , adsorption , substrate (aquarium) , density functional theory , spectroscopy , molecular physics , materials science , raman scattering , computational chemistry , benzodiazepine , optics , chromatography , organic chemistry , physics , biochemistry , receptor , oceanography , quantum mechanics , astronomy , geology
The surface‐enhanced Raman spectroscopy (SERS) spectra of a benzodiazepine molecule, oxazepam, have been recorded using a nanoporous silica matrix containing gold nanoparticles as SERS substrate. In the measured spectra, we clearly observe spectral fluctuations, with slight shifts in wavenumber, appearance, and disappearance of peaks and variations in the shape of some peaks. By comparison with spectra simulated by density functional theory, we attribute those fluctuations to the experimental signature of various adsorption sites of the molecule on the gold surface. The effect of temperature and laser power was also studied, suggesting that changes in absorption sites can be optically activated. Such features could cause misinterpretation of SERS spectra and errors in the identification of drugs. We suggest that they should be systematically considered for the correct interpretation of SERS spectra of drug molecules.