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

• NCJ Number: 249406
• Journal: Journal of Physical Chemistry C Volume: 119 Issue: 25 Dated: June 2015 Pages: 14297-14303
• Author(s): M.V. Cafiamares; J.R. Lombardi
• Date Published: June 2015
• Length: 7 pages
• Grant Number(s): 2006-DN-BX-K034
• Agencies: NIJ-Sponsored
• Publication Type: Research (Applied/Empirical); Report (Study/Research); Report (Grant Sponsored)
• Award: Development of Advanced Raman Spectroscopy Methods and Databases for the Evaluation of Trace Evidence and the Examination of Questioned Documents

Annotation

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.

Abstract

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)