Vibrational characterization of the pesticide molecule Tebuconazole

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy(2022)

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摘要
•Tebuconazole is a systemic triazole fungicide with discussed carcinogenic effects.•Raman spectroscopy provides unique and detailed structural fingerprint(s) of the molecule(s) what makes it an ideal technique to study tebuconazole-biomacromolecule(s) interaction(s).•Tebuconazole possesses rich vibrational features generating also strong SERS signal to enable the detection of low concentrations of the molecule.•SERS spectroscopy is a potential analytical tool for selective and sensitive pollutants detection.
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关键词
Pesticide (fungicide),Tebuconazole,Vibrational spectra,Surface-enhanced Raman,Density functional theory (DFT),Limit of detection (LOD)
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