Experimental and density functional theory study of Raman and SERS spectra of 5-amino-2-mercaptobenzimidazole.
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.
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, China; College of Chemistry and Chemical Engineering, Mudanjiang Normal University, Mudanjiang 157012, China.
Yufeng
Y
Chen
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, China.
Jin
J
Yang
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, China.
Zonglong
Z
Li
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, China.
Ran
R
Li
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, China. Electronic address: ruanwd@jlu.edu.cn.
Weidong
W
Ruan
College of Chemistry and Chemical Engineering, Mudanjiang Normal University, Mudanjiang 157012, China.
Zhiping
Z
Zhuang
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, China.
Bing
B
Zhao
D000327:Adsorption; D001562:Benzimidazoles / Q000737:chemistry*; D003102:Colloids; D008958:Models, Molecular; D008968:Molecular Conformation; D011789:Quantum Theory; D012834:Silver / Q000737:chemistry; D012996:Solutions; D013056:Spectrophotometry, Ultraviolet; D013059:Spectrum Analysis, Raman; D055672:Static Electricity; D013997:Time Factors
D001562:Benzimidazoles; D003102:Colloids; D012996:Solutions; D012834:Silver; C030698:2-mercaptobenzimidazole
5-Amino-2-mercaptobenzimidazole (5-A-2MBI); Density functional theory (DFT); Detection; Surface-enhanced Raman spectroscopy (SERS)