Citation: GAO Si-Min, WANG Hong-Yan, LIN Yue-Xia, WU Ying-Xi, HU Jun. Surface-Enhanced Raman Scattering Mechanism of Aflatoxin B₂ Molecule Adsorbed on Silver Cluster[J]. Acta Physico-Chimica Sinica, ;2014, 30(10): 1916-1922. doi: 10.3866/PKU.WHXB201407211 shu

Surface-Enhanced Raman Scattering Mechanism of Aflatoxin B₂ Molecule Adsorbed on Silver Cluster

1.
1. Division of Foundation Courses, E-Mei Campus, Southwest Jiaotong University, E-Mei 614202, Sichuan Province, P. R. China;
2. School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031, P. R. China

Received Date: 22 May 2014
Available Online: 21 July 2014
Fund Project:

The surface-enhanced Raman scattering (SERS) spectrum and pre-resonance Raman spectra of Aflatoxin B₂ (AFB₂) adsorbed on silver cluster were calculated by density functional theory (DFT) methods with the B3LYP/6-311G (d,p)(C, H, O)/LanL2DZ(Ag) basis set. The results show that the SERS enhancement factors were 10², and this belongs to the C=O stretching vibration of the pyrane ring because of the larger static polarizability of the complex. The pre-resonance Raman spectra of the AFB₂-Ag₂ complex were explored at 1144 and 544 nm, which corresponds to charge transfer excitation energy, and its enhancement factor was 10². The pre-resonance enhancement factor was 10⁴ when incident light charge transfer pre-resonant wavelengths of 432 and 410 nm were selected. These come from a charge transfer resonance enhancement between the silver cluster and the AFB₂ molecule. Therefore, changing the wavelength of the incident light is more conducive to the trace detection of the strong carcinogen AFB₂.
- Aflatoxin B₂,
- Surface-enhanced Raman scattering spectrum,
- Pre-resonant Raman spectrum,
- Density functional theory
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

Surface-Enhanced Raman Scattering Mechanism of Aflatoxin B2 Molecule Adsorbed on Silver Cluster

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通讯作者: 陈斌, bchen63@163.com

Surface-Enhanced Raman Scattering Mechanism of Aflatoxin B₂ Molecule Adsorbed on Silver Cluster