Dioxygen Electroreduction on Electrode Surfaces

Abstract

Finally, thiocyanate (SCN) adsorption on Au electrode is examined. Both the calculations and the spectroscopy show that three different geometries are adopted by SCN in the potential region studied (0.0 V ≤ E ≤ 1.2 V vs. NHE). At low potential both N-bound and S-bound forms are found, at intermediate potentials around Epzc the S-bound form dominates, and at high potentials SCN associates with the surface via a bridging geometry. The different Stark slopes observed for the C-N stretch in the end-on and bridging forms are attributed to the lowest unoccupied molecular orbital (LUMO).