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 Surface Enhanced Raman Scattering of Melamine on Silver Substrate: An Experimental and DFT Study (SCI, IF=2.6)
Tác giả hoặc Nhóm tác giả: Nguyen Thi Thai An, Duy Quang Dao*, Pham Cam Nam*, Bui The Huy, Hong Nhung Tran
Nơi đăng: Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy - Sciencedirect; Số: 169;Từ->đến trang: 230-237;Năm: 2016
Lĩnh vực: Khoa học; Loại: Bài báo khoa học; Thể loại: Quốc tế
TÓM TẮT
Surface enhanced Raman spectroscopy (SERS) is a powerful vibrational spectroscopy technique that allows amplifying weak Raman signals by the excitation of localized surface plasmons. In this paper, we used nanoscale roughened silver surface to enhance Raman signals of melamine analyte. Silver nanoparticles were synthesized by wet-chemical method and employed for SERS measurement. Theoretically, optimized geometries and vibrational frequencies of melamine and melamine absorbed on silver-cluster surface were calculated by using the B3LYP/6-31G(d) method. Then, the predicted spectrograms are compared with the experimental Raman spectra. As a result, Raman signals of melamine were dramatically enhanced by using obtained silver nanoparticles as the substrate. Typical peaks of melamine at 676 and 983 cm−1 were enhanced and could be obviously observed in experiments. The calculated vibrational frequencies seem to relatively coincide with the experimental values. SERS effect of melamine on nanoscale silver was also explained by analyzing molecular frontier orbitals (HOMO and LUMO) melamine–silver complexes.
ABSTRACT
Surface enhanced Raman spectroscopy (SERS) is a powerful vibrational spectroscopy technique that allows amplifying weak Raman signals by the excitation of localized surface plasmons. In this paper, we used nanoscale roughened silver surface to enhance Raman signals of melamine analyte. Silver nanoparticles were synthesized by wet-chemical method and employed for SERS measurement. Theoretically, optimized geometries and vibrational frequencies of melamine and melamine absorbed on silver-cluster surface were calculated by using the B3LYP/6-31G(d) method. Then, the predicted spectrograms are compared with the experimental Raman spectra. As a result, Raman signals of melamine were dramatically enhanced by using obtained silver nanoparticles as the substrate. Typical peaks of melamine at 676 and 983 cm−1 were enhanced and could be obviously observed in experiments. The calculated vibrational frequencies seem to relatively coincide with the experimental values. SERS effect of melamine on nanoscale silver was also explained by analyzing molecular frontier orbitals (HOMO and LUMO) melamine–silver complexes.
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