Fungi are responsible for significant crop losses every year. Due to the modernization and high demand for agriculture, chemical control is used to manage diseases caused by these microorganisms. Triadimenol (TN) is a triazole fungicide widely used to combat these pests, so the characterization of its physical and chemical properties is crucial. However, despite its extensive use, the vibrational study of TN has yet to be published in the literature. In this work, TN was studied by DFT-based analysis and FT-IR, Raman, and SERS spectroscopy. The simulated vibrational spectra of TN obtained from these analyses exhibited good concordance with the experimental spectrum, and the vibrational assignments were consistent with analogous molecules documented in previous studies. The interaction between TN and the surface of silver nanoparticles (AgNPs) was inferred by comparing the theoretical SERS spectrum with experimental SERS and solid-state spectra. Similar to other triazole fungicides, TN also interacts with AgNPs through the triazole functional group.

真菌每年都会造成重大农作物损失。由于农业的现代化和高需求，化学防治被用来控制由这些微生物引起的疾病。三唑醇 (TN) 是一种广泛用于防治这些害虫的三唑类杀菌剂，因此其物理和化学性质的表征至关重要。然而，尽管 TN 被广泛使用，但其振动研究尚未在文献中发表。在这项工作中，通过基于 DFT 的分析以及 FT-IR、拉曼和 SERS 光谱研究了 TN。从这些分析中获得的 TN 的模拟振动光谱与实验光谱表现出良好的一致性，并且振动分配与先前研究中记录的类似分子一致。通过将理论 SERS 光谱与实验 SERS 和固态光谱进行比较，推断出 TN 与银纳米颗粒 (AgNPs) 表面之间的相互作用。与其他三唑类杀菌剂类似，TN 也通过三唑官能团与纳米银相互作用。