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4-乙酰基吡啶是一种重要的添加剂和医药中间体。在室温条件下使用液膜法测定了4-乙酰基吡啶的红外光谱和拉曼光谱,结合密度泛函理论在高水平基组条件下计算得到的稳定构型、振动频率和各谱带的势能分布,对观测到的谱带做出了全面指认和详细分析,为该类化合物的实验鉴别提供了理论依据。
4-acetyl pyridine is an important additive and pharmaceutical intermediates. The infrared spectra and Raman spectra of 4-acetylpyridine were determined by liquid membrane method at room temperature. The stable configuration, vibrational frequency and potential energy of each band calculated by density functional theory Distribution, the observed band made a full designation and detailed analysis of the compounds for the experimental identification provides a theoretical basis.