Adsorption and vibrational study of folic acid on gold nanopillar structures using surface-enhanced Raman Scattering Spectroscopy

Abstract

This paper presents a study of adsorption and vibrational features of folic acid, using surface-enhanced Raman scattering (SERS). A gold-capped silicon nanopillar (Au NP) with a height of 600 nm and a width of 120 nm was utilized to study the vibrational features of FA molecules adsorbed on the nanopillars within the high electromagnetic field areas. The adsorption behaviour of folic acid and the band assignment of the main vibrations together with the optimized geometry of folic acid and folic acid in the presence of a cluster of 10 gold atoms were assessed using the density functional theory (B3LYP(6-31G(d))) and the scalar relativistic effective core potential with a double-zeta basis set (LANL2DZ). The vibrations obtained from the solid-state folic acid and the folic acid on a gold cluster were in accordance with those observed experimentally. The analysis of the main vibrations indicated that the interac‐ tion of folic acid with the Au NP occurred primarily through the nitrogen atoms, from their pteridine ring. Finally, the obtained adsorption isotherm for folic acid was deduced from the analysis of the SERS spectra and it followed a negative cooperative binding model.