Oxadiazole‐2‐thiol Adsorption on Gold Nanorods: A Joint Theoretical and Experimental Study by Using SERS,XPS, and DFT |
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| Authors: | Israa Haidar Stéphanie Lau‐Truong Prof. Jean Aubard Dr. Jean‐Philippe Renault Prof. Nordin Félidj Prof. François Maurel Dr. Leïla Boubekeur‐Lecaque |
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| Affiliation: | 1. Université Paris Diderot, Sorbonne Paris Cité, ITODYS, UMR CNRS 7086, 15 rue Jean‐Antoine de Ba?f, 75205 Paris Cedex 13 (France), Tel: (+33)?1‐57‐27‐87‐72;2. Laboratoire de Radiolyse, SIS2M, MR3299 CNRS‐CEA, CEA Saclay 91191 Gif‐sur‐Yvette Cedex (France) |
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| 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. |
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| Keywords: | density functional calculations gold heterocycles nanostructures Raman spectroscopy surface plasmon resonance |
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