Spectroscopy and Spectral Analysis, Volume. 31, Issue 4, 1006(2011)

DFT and Surface-Enhanced Raman Scattering Studies of BPA

WANG Shi-tao1、*, LU Hui-zong2, MA Ning2, BAO Yang1, WANG He-ya1, LIU Zhi-gang3, and YAO Wei-rong1
Author Affiliations
  • 1[in Chinese]
  • 2[in Chinese]
  • 3[in Chinese]
  • show less

    On the base of the vibration theory, the spectrum of bisphenol A(BPA) molecule was calculated by the density functional theory(DFT) using B3LYP/6-311G(d), and the normal Raman spectrum (NRS) of BPA was assigned in detail.The surface enhanced Raman scattering (SERS) of the BPA molecule was obtained by gold sol enhancement.The adsorption of BPA to gold surface was analyzed: in acidic pH, the molecule was adsorbed on the gold surface by CO-, the vibration of the band O—H disappeared, and the benzene ring was perpendicular on the surface of gold sol.

    Tools

    Get Citation

    Copy Citation Text

    WANG Shi-tao, LU Hui-zong, MA Ning, BAO Yang, WANG He-ya, LIU Zhi-gang, YAO Wei-rong. DFT and Surface-Enhanced Raman Scattering Studies of BPA[J]. Spectroscopy and Spectral Analysis, 2011, 31(4): 1006

    Download Citation

    EndNote(RIS)BibTexPlain Text
    Save article for my favorites
    Paper Information

    Received: Jul. 22, 2010

    Accepted: --

    Published Online: May. 30, 2011

    The Author Email: Shi-tao WANG (thwst129@163.com)

    DOI:

    Topics