Surface-enhanced Raman scattering and DFT theoretical studies on the adsorption behavior of plumbagin on silver nanoparticles

The comparative study of normal Raman spectrum with the SERS along with the DFT calculations predicts the adsorption geometry of plumbagin on silver surface. The surface geometry of plumbagin molecule was studied by analysis of the SERS spectra adsorbed on silver colloid surfaces. The large enhancement of inplane ring stretching and C-H in-plane bending modes in the surface-enhanced Raman scattering spectrum indicates that the molecule is adsorbed on the silver surface in a stand-on orientation of PLBN on a silver surface.