Experimental and density functional theory study of Raman and SERS spectra of 5-amino-2-mercaptobenzimidazole
Yufeng Chen1, Jin Yang2, Zonglong Li2
1State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, China; College of Chemistry and Chemical Engineering, Mudanjiang Normal University, Mudanjiang 157012, China.
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.
More Related Videos
Related Concept Videos
NMR Spectroscopy of Benzene Derivatives
¹H NMR Signal Integration: Overview
Raman Spectroscopy: Overview
However, a small fraction of the scattered light exhibits a frequency shift due to the exchange of energy between the incident photons and...
Basicity of Heterocyclic Aromatic Amines
NMR Spectroscopy Of Amines
¹H NMR: Complex Splitting
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...


