Vibrational modes study of thymine on the surface of copper electrode using SERS-measurement and the DFT method

The surface enhanced Raman scattering (SERS) spectra of thymine on copper electrode were recorded under different voltage values. Simultaneously, the chemical chelation was used to explain the interaction mechanism between thymine molecules and copper electrode. Moreover, the SERS spectrum of thymine was calculated with density functional theory (DFT). The frequency shifts between SERS and normal Raman spectra by experimental measurement were very approach to those obtaining by DFT method. The experimental results indicated that thymine molecules were adsorbed on the copper electrode through N1 and O7 with the chemical adsorption between OCN moiety and copper atoms.