Solid-liquid-liquid extraction as an approach to the sensitive detection of a hydrophobic pollutant through surface-enhanced Raman spectroscopy |
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| Affiliation: | 1. Chemistry Department – Institute of Exact Science (ICE), Federal University of Juiz de Fora (UFJF), Juiz de Fora, MG 36036-330, Brazil;2. Chemistry Department – Institute of Exact Science (ICEx), Federal University of Minas Gerais (UFMG), Belo Horizonte, MG 31270-901, Brazil;1. Departamento de Física, Campus Ministro Petrônio Portella Bloco 03, Universidade Federal do Piauí, CEP 64049-550, Teresina, PI, Brazil;2. Pós-Graduação em Ciência dos Materiais, Campus Ministro Petrônio Portella, Universidade Federal do Piauí, CEP 64049-550, Teresina, PI, Brazil;3. Departamento de Física, Universidade Federal do Ceará, C.P. 6030, CEP 60455-760, Fortaleza, CE, Brazil;1. Instituto Federal de Educação, Ciência e Tecnologia do Sudeste de Minas Gerais, Campus São João Del Rei, São João Del Rei, MG, Brazil;2. Laboratório de Espectroscopia de Materiais, Dep. de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG, Brazil;3. Laboratório de Tecnologia em Materiais Fotônicos e Optoeletrônicos, Faculdade de Tecnologia de São Paulo, CEETEPS/UNESP, 01124-060 São Paulo, SP, Brazil;1. Laboratório de Nanoestruturas Plasmônicas, Núcleo de Espectroscopia e Estrutura Molecular, Departamento de Química, Universidade Federal de Juiz de Fora, R. José Lourenço Kelmer s/n, Martelos, CEP 36036-900, Juiz de Fora, MG, Brazil;2. Departamento de Física, Universidade Federal de Juiz de Fora, R. José Lourenço Kelmer s/n, Martelos, CEP 36036-900, Juiz de Fora, MG, Brazil |
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| Abstract: | Surface-enhanced Raman scattering (SERS) spectra of thiram (tetramethylthiuram disulfide), a dimethyl dithiocarbamate fungicide, were recorded after the adsorption on plasmonic silver nanowires from a system of water, organic solvent and nanoparticles. As organic solvents dichloromethane and 1-octanol were involved. A method for measuring the adsorption constant of thiram as a model molecule to the silver surface by studying its partition phenomena in a binary solvent system is presented. The method is based on the extraction of a hydrophobic molecule from an organic solvent by an aqueous suspension of silver anisotropic nanoparticles. The obtained results demonstrate the effectiveness of SERS methodology for the sensitive analysis of compounds with low aqueous solubility, and a reliable SERS spectrum of thiram was obtained with excellent signal/noise ratio at low concentrations. In addition, for vibrational assignments, Density Functional Theory (DFT) was used for the simulation of the Raman and SERS spectra of thiram and its complexes with silver considering the following two models: a single silver atom and an Ag20 cluster. |
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| Keywords: | Density functional theory (DFT) Phase extraction Silver nanowires Surface-enhanced Raman spectroscopy Thiram Vibrational assignment |
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