The molecular geometry and vibrational frequencies of 4,4′-azopyridine (AZPY) were calculated using the density functional theory (DFT) methods. Fourier transform infrared (FTIR), fourier transform Raman (FT-Raman) and near-infrared surface-enhanced Raman scattering (NIR-SERS) spectra of AZPY on the silver foil substrate have been recorded. On the basis of the computed results, FTIR, FT-Raman and NIR-SERS bands were assigned. It is shown that the calculated and observed frequencies are in good agreement with each other for FTIR and FT-Raman spectra. Surface selection rules derived from the electromagnetic enhancement model were employed to infer the orientations of AZPY on the silver foil substrate surface.
All Science Journal Classification (ASJC) codes
- Analytical Chemistry
- Organic Chemistry
- Inorganic Chemistry