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

AuthorsCañamares, María Vega ; Lombardi, J. R.
Issue Date4-Jun-2015
PublisherAmerican Chemical Society
CitationJournal of Physical Chemistry C 119: 14297- 14303 (2015)
Abstract© 2015 American Chemical Society. Mauve was the first synthetic organic dyestuff to be manufactured industrially. The main components of the 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 this study the Raman and SERS spectra of the mauve and its components were obtained in order to determine the adsorption mechanism on Ag nanoparticles. 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.
Description7 pags.; 6 figs.; 2 tabs.
Publisher version (URL)http://dx.doi.org/10.1021/acs.jpcc.5b02619
Identifiersdoi: 10.1021/acs.jpcc.5b02619
issn: 1932-7455
Appears in Collections:(CFMAC-IEM) Artículos
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