The electrosorption of 1,2,3‐triazole on gold as studied with surface‐enhanced Raman spectroscopy

Abstract

Abstract The electrosorption of 1,2,3‐triazole on a polycrystalline gold electrode has been studied with surface‐enhanced Raman spectroscopy (SERS) and cyclic voltammetry. Vibrational wavenumbers were calculated for the 1 H ‐ and 2 H ‐1,2,3‐triazole at the B3LYP and MP2 levels using 6–31G* basis set. The data obtained from vibrational wavenumber calculations are used to analyze the SERS spectra. Results imply a tilted orientation of the triazole molecule both from acidic and neutral perchlorate solution with a nitrogen atom interacting directly with the gold surface. Strong adsorption in both cases is also evident from cyclic voltammograms of polycrystalline gold electrodes, indicating strong inhibition of gold hydroxide formation. Copyright © 2006 John Wiley & Sons, Ltd.