报道了苏丹红Ⅲ和苏丹红Ⅳ的红外光谱(IR)、 固体常规拉曼光谱(NRS)和以新型Cu-Ag复合纳米材料为基底的表面增强拉曼光谱(SERS)。 以密度泛函理论(DFT)为基础, 采用B3LYP/6-311+G(d,p)基组对其红外和拉曼光谱进行计算, 计算结果与实验数据基本吻合, 并且运用Gauss view 5.0可视化软件, 对峰的振动模式进行了全面的归属。 实现了对苏丹红的快速鉴别, 为研究苏丹红染料的特性和快速鉴定提供了有利的依据, 为食品安全检测提供了可靠的方法。

Infrared spectroscopy (IR) and normal Raman spectroscopy (NRS) of Sudan red(Ⅲ) and Sudan red(Ⅳ), and surface-enhanced Raman spectroscopy(SERS) of them on Cu—Ag nanocomposite material were reported in the present paper. The density functional theory (DFT) calculation was applied to calculate IR and NRS on a B3LYP/6-311+G (d,p) level, and the theoretically calculated spectra were carefully compared with the obtained experimental spectra. The vibrational peaks were assigned by the software of Gauss view 5.0. Rapid identification of Sudan red was realized, which provided profitable basis for characteristics and quick test of Sudan dyes, and reliable detection method of food security.