Ai-ling TAN, Rong ZHAO, Jia-lin SUN, Xin-rui WANG, Yong ZHAO. Detection of Chlorpyrifos Based on Surface-Enhanced Raman Spectroscopy and Density Functional Theory[J]. Spectroscopy and Spectral Analysis, 2021, 41(11): 3462
- Spectroscopy and Spectral Analysis
- Vol. 41, Issue 11, 3462 (2021)
Fig. 1. Molecular formula of chlorpyrifos
Fig. 2. Optimized molecular configuration of chlorpyrifos
Fig. 3. Raman spectra of chlorpyrifos
Fig. 4. Molecular structure diagram of optimized after invasion of silver cluster
(a): chlorpyrifos-Ag2; (b): chlorpyrifos-Ag3
(a): chlorpyrifos-Ag2; (b): chlorpyrifos-Ag3
Fig. 5. SERS spectrum of Chlorpyrifos-Ag2
Fig. 6. SERS spectrum of Chlorpyrifos-Ag3
Fig. 7. Comparison of Raman and SERS spectra of chlorpyrifos
Fig. 8. Comparison analysis of SERS spectra shifts with Ag2 and Ag3
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Table 1. Attribution and vibration form of Raman spectral characteristic peaks of chlorpyrifos
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Table 2. SERS spectral characteristic peak attribution and its attribution structure of chlorpyrifos
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