2009
DOI: 10.1016/j.molstruc.2009.06.039
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Surface enhanced Raman spectroscopy (SERS) and density functional theory (DFT) study for understanding the regioselective adsorption of pyrrolidinone on the surface of silver and gold colloids

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Cited by 65 publications
(54 citation statements)
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“…This fact is illustrated by the appearance of an intense band at 243 cm À1 in the SERS spectrum, characteristic for the vibration of Ag-O and Ag-N bonds, with no counterpart in the normal Raman spectrum. Similar values were reported for the wavenumbers assigned to Ag-N [24][25][26] or Ag-O [26,27] vibrations. Moreover, in order to simulate the interaction of the molecule with the silver surface we optimized two complexes formed between paroxetine molecule and one Ag atom arranged in the vicinity of the N22 atom of the molecule or in the close vicinity of dioxolane ring.…”
Section: Raman and Sers Spectrasupporting
confidence: 86%
“…This fact is illustrated by the appearance of an intense band at 243 cm À1 in the SERS spectrum, characteristic for the vibration of Ag-O and Ag-N bonds, with no counterpart in the normal Raman spectrum. Similar values were reported for the wavenumbers assigned to Ag-N [24][25][26] or Ag-O [26,27] vibrations. Moreover, in order to simulate the interaction of the molecule with the silver surface we optimized two complexes formed between paroxetine molecule and one Ag atom arranged in the vicinity of the N22 atom of the molecule or in the close vicinity of dioxolane ring.…”
Section: Raman and Sers Spectrasupporting
confidence: 86%
“…The Raman spectra of the PVP-capped Ag NPs (Fig. 2c) confirmed the presence of PVP at the surface as judged by Raman bands at 647, 765 cm −1 (ring torsion, out of plane), 941 cm −1 (CH out of plane bend), and 1362 cm −1 (ring breathing mode) (Mdluli et al 2009).…”
Section: Resultssupporting
confidence: 55%
“…S1, Supporting Information). It has been confirmed that PVP were absorbed on the surface of AgNPs mainly through oxygen atom of the carboxylate group and probably nitrogen atom of the pyrrolidyl nitrogen group [19,20]. In comparison to PVP molecules, chlorides were found to have stronger interactions with the AgNPs surface, and be competent for the detachment of PVP molecules [21].…”
Section: Resultsmentioning
confidence: 99%