4.7 Article

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

出版社

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2015.08.039

关键词

Surface-enhanced Raman spectroscopy (SERS); 5-Amino-2-mercaptobenzimidazole (5-A-2MBI); Density functional theory (DFT); Detection

资金

  1. Natural Science Foundation of China [21273091, 21221063, 21327803, 21411140235]
  2. Specialized Research Fund for the Doctoral Program of Higher Education [20110061110017]
  3. Development Program of the Science and Technology of Jilin Province [20110338]
  4. Postdoctoral Science Foundation of China [2014 M561286]

向作者/读者索取更多资源

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 x 10(-7) mol . L-1 was gained. SEAS proved to be a simple, fast and reliable method for the detection and characterization of 5-A-2MBI molecules. (C) 2015 Elsevier B.V. All rights reserved.

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