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Oxadiazole‐2‐thiol Adsorption on Gold Nanorods: A Joint Theoretical and Experimental Study by Using SERS, XPS, and DFT
Author(s) -
Haidar Israa,
LauTruong Stéphanie,
Aubard Jean,
Renault JeanPhilippe,
Félidj Nordin,
Maurel François,
BoubekeurLecaque Leïla
Publication year - 2014
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201402197
Subject(s) - raman spectroscopy , nanorod , chemisorption , density functional theory , moiety , adsorption , x ray photoelectron spectroscopy , surface enhanced raman spectroscopy , chemistry , colloidal gold , oxadiazole , molecular vibration , materials science , molecule , analytical chemistry (journal) , nanoparticle , photochemistry , computational chemistry , nanotechnology , raman scattering , chemical engineering , organic chemistry , optics , physics , engineering
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 Au 20 gold cluster provided valuable information about the coordination mode and enabled us to assign vibration modes.