Experimental and density functional theory study of Raman and SERS spectra of 5-amino-2-mercaptobenzimidazole

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Yufeng ChenBing Zhao

Abstract

Raman spectroscopy, surface-enhanced Raman spectroscopy (SERS) and density functional theory (DFT) simulations were employed to study 5-amino-2-mercaptobenzimidazole (5-A-2MBI) molecules. Ag colloids were used as SERS substrates which were prepared by using hydroxylamine hydrochloride as reducing agent. Raman vibration modes and SERS characteristic peaks of 5-A-2MBI were assigned with the aid of DFT calculations. The molecular electrostatic potential (MEP) of 5-A-2MBI was used to discuss the possible adsorption behavior of 5-A-2MBI on Ag colloids. The spectral analysis showed that 5-A-2MBI molecules were slightly titled via the sulfur atoms adhering to the surfaces of Ag substrates. The obtained SERS spectral intensity decreased when lowering the 5-A-2MBI concentrations. A final detection limit on the concentration of 5×10(-7)mol·L(-1) was gained. SERS proved to be a simple, fast and reliable method for the detection and characterization of 5-A-2MBI molecules.

References

Jun 20, 2013·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Michał H Jamróz

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Citations

Jul 26, 2019·Journal of Environmental Science and Health. Part. B, Pesticides, Food Contaminants, and Agricultural Wastes·Yu GaoJinfeng Xiong
Apr 18, 2018·Nature Communications·Wenwei MaEnrico Ferrari
Jul 21, 2017·Journal of Agricultural and Food Chemistry·Meng-Lei XuBing Zhao

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