IR-SERS study and theoretical analogue on the adsorption behavior of pyridine carboxylic acid on silver nanoparticles

High qualities Raman spectra of pyridine carboxylic acid in silver colloidal solution and on silver-coated ITO glass at near infrared laser excitation were obtained in this article. The calculations based on density functional theory (DFT) were used to analysis the absorption behavior of these molecules. By comparing the experimental frequencies with the calculated ones, it can be concluded that the carboxylate-to-metal interaction is the key factor during the adsorption process, and the nitrogen-to-metal coordination seemed to play a secondary role in the process.