饱和一元酸类化合物的拉曼光谱研究  

The Study of Several Saturated Monoacid by Raman Spectroscopy

作　　者：董鹍[1,2] 饶之帆[2] 杨晓云[2] 林劲畅[2] 张鹏翔[1] 

机构地区：[1]昆明理工大学材料科学与工程学院,昆明650093 [2]昆明理工大学分析测试中心,昆明650093

出　　处：《光散射学报》2011年第1期61-65,共5页The Journal of Light Scattering

基　　金：国家自然科学基金项目(10274026)

摘　　要：通过实验检测获得了甲酸、乙酸、丙酸、丁酸四种一元酸的拉曼光谱。应用密度泛函理论对四种酸分子进行了模拟计算,计算结果与实验拉曼光谱吻合度较高,分别对四种酸的特征振动峰进行了详细的分析和振动归属。研究结果表明,甲酸的拉曼光谱与其他三种酸差异较大;乙酸、丙酸和丁酸的拉曼光谱具有一定的相似性,但主强峰位置和次强峰的强度存在着明显的差异。应用拉曼光谱技术实现了对这四种一元酸的快速鉴定与分析。The Raman spectra of formic acid, acetic acid, propionic acid and butyric acid have been obtained by experimental detection. The calculated result which was simulated by density functional theory was coincided as the experimental result. The characteristic peaks of the four monobasic acids were analyzed and assigned. The result shows that the Raman spectrum of formic acid was very different from the other three acids~ The Raman spectra of the other three acids were similar, but there were significant difference between the wavenumber of the main strongest peaks and the intensity of the subsequent peaks. These monobasic acids could be real-time rapid identified by Raman spectroscopy technology.

关 键 词：甲酸 乙酸 丙酸 丁酸 拉曼光谱 

分 类 号：O657.37[理学—分析化学]