RT Journal Article
T1 Differentiated adsorption of thiobenzoic acid and thiobenzamide on silver nanoparticles determined by SERS spectroscopy.
A1 López-Ramírez, María Rosa
A1 Aranda, Daniel
A1 López-Tocón, Isabel
A1 Soto-Martín, Juan
A1 Castro, José Luis
A1 Otero-Fernández-de-Molina, Juan Carlos
K1 Efecto Raman de superficie intensificada
K1 Adsorción
AB Surface-enhanced Raman scattering of thiobenzoic acid and thiobenzamidehave been recorded on three different silver colloids in order to find thechemical species responsible for the spectra and to detect differences in theadsorption with respect to their oxygen counterparts, benzoic acid andbenzamide, respectively. Very significant and unexpected shifts of oppositesign between the Raman and SERS wavenumbers have been detected. Bycomparing the experimental and DFT calculated wavenumbers, it can beconcluded that the acid is bonded to the metal as thiobenzoate through the sulfuratom with unidentate coordination. SERS spectra of thiobenzamide can beexplained by assuming that it is adsorbed as azanion, like in the case ofbenzamide, linking to the metal through the sulfur and nitrogen atoms of theionized thiocarboxamide group. In order to support these conclusions,B3LYP/LanL2DZ force field calculations for different complexes of silvercations with the thiobenzoate anion, the neutral thiobenzamide as well as itsazanion have been carried out. Additionally, the 8a;nring mode is the mostenhanced band in the SERS of both adsorbates pointing to the participation ofa metal-to-molecule resonant charge transfer mechanism.
PB Elsevier
YR 2020
FD 2020-10-08
LK https://hdl.handle.net/10630/28344
UL https://hdl.handle.net/10630/28344
LA eng
NO Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 246 (2021) 119048
NO Política de acceso abierto tomada de: https://v2.sherpa.ac.uk/id/publication/15140?template=romeo(Submitted version)
NO Spanish MINECO/FEDER (CTQ2015-65816-R)Junta de Andalucía/FEDER (UMA18-FEDERJA-049 and P18-RT-4592)Ramón Areces Foundation
DS RIUMA. Repositorio Institucional de la Universidad de Málaga
RD 20 ene 2026