title: Oxadiazole-2-thiol adsorption on gold nanorods: a joint theoretical and experimental study by using SERS, XPS, and DFT.
abstract: The chemisorption of 1,3,4-oxadiazole-2-thiol (ODT) on gold nanorods has been investigated by using surface-enhanced Raman spectroscopy (SERS) and density functional theory (DFT). Although most of the SERS spectra have remarkable similarity to the normal Raman spectra of the pure analyte, the adsorption of ODT on a gold surface leads to a drastic change in its Raman spectrum and distinct vibrational features are obtained with gold nanorods and spherical nanoparticles. Simulated Raman spectra for hybrid systems that consist of an oxadiazole moiety coordinated to a Au20 gold cluster provided valuable information about the coordination mode and enabled us to assign vibration modes.
authors.affiliation: Université Paris Diderot, Sorbonne Paris Cité, ITODYS, UMR CNRS 7086, 15 rue Jean-Antoine de Baïf, 75205 Paris Cedex 13 (France), Tel: (+33) 1-57-27-87-72.
authors.forename: Israa
authors.initials: I
authors.lastname: Haidar
authors.forename: Stéphanie
authors.initials: S
authors.lastname: Lau-Truong
authors.forename: Jean
authors.initials: J
authors.lastname: Aubard
authors.forename: Jean-Philippe
authors.initials: JP
authors.lastname: Renault
authors.forename: Nordin
authors.initials: N
authors.lastname: Félidj
authors.forename: François
authors.initials: F
authors.lastname: Maurel
authors.forename: Leïla
authors.initials: L
authors.lastname: Boubekeur-Lecaque
keywords: Raman spectroscopy; density functional calculations; gold; heterocycles; nanostructures; surface plasmon resonance