| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1229291 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2015 | 8 Pages |
•FT-IR, Raman and SERS spectra of Safranin-O dye are reported.•Vibrational frequencies have been calculated at the B3LYP/6-311+G(d,p) level of theory.•Observed and simulated vibrational spectra are in good agreement with each other.•The chemical interaction of Safranin-O with silver nanoparticles was demonstrated.
The analysis of ground state structural and vibrational properties of Safranin-O is presented. The experimental results, obtained by FTIR, Raman and SERS spectroscopy, are discussed in comparison to the results of DFT calculations carried out at the B3LYP/6-311 + G(d,p) level of theory. The calculated spectra reproduce quite satisfactorily the experimental data. The calculated Safranin-O equilibrium structure and the assignment of the vibrational spectra are reported as well. From the changes between Raman and SERS spectra a model is presented for the interaction of Safranin-O with silver nanoparticles.
Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slide
