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Raman, SERS, and DFT of Mauve Dye: Adsorption on Ag Nanoparticles

NCJ Number
Journal of Physical Chemistry C Volume: 119 Issue: 25 Dated: June 2015 Pages: 14297-14303
Date Published
June 2015
7 pages
In this study, the Raman and SERS spectra of the mauve dye, the first synthetic organic dyestuff to be manufactured industrially, and its components were obtained in order to determine the adsorption mechanism on Ag nanoparticles.
The main components of this dye are mauveine A, B, B2, and C. These molecules show four nitrogen atoms in their structure; therefore, they can interact with the SERS substrate by four different sites. In the current study, the comparison of the Raman and SERS spectra of mauve dye revealed several differences in the intensity and position of the Raman bands. Thus, a chemical interaction between the dye and the Ag nanoparticles was concluded. DFT calculations of the four mauveine molecules were carried out to aid in the assignments of the vibrational normal modes. (Publisher abstract modified)

Date Published: June 1, 2015