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| 醛类分子的拉曼光谱研究 | |
| 引用本文： | Dong K,Rao ZF,Yang XY,Lin JC,Zhang PX. 醛类分子的拉曼光谱研究[J]. 光谱学与光谱分析, 2011, 31(12): 3277-3280. DOI: 10.3964/j.issn.1000-0593(2011)12-3277-04 |
| 作者姓名： | Dong K Rao ZF Yang XY Lin JC Zhang PX |
| 作者单位： | 1. 昆明理工大学材料科学与工程学院,云南昆明650093;昆明理工大学分析测试中心,云南昆明 650093 2. 昆明理工大学分析测试中心,云南昆明,650093 3. 昆明理工大学材料科学与工程学院,云南昆明,650093 |
| 基金项目： | 国家自然科学基金项目(10274026)资助 |
| 摘 要： | 应用便携式拉曼光谱仪,采集了四种醛类分子(GnH2nO,n=1,2,3,4)的拉曼光谱,并通过量子化学中密度泛函理论(DFT)对四种醛类分子进行了分子模型构建和理论拉曼光谱模拟计算.通过实验拉曼光谱和DFT模拟计算结果的对比,对四种醛类分子的特征振动峰进行了指认.同时对四种醛类分子的实验光谱进行了分析比较.应用便携式拉... |
| 关 键 词： | 甲醛 乙醛 丙醛 丁醛 拉曼光谱 |
The study of several aldehyde molecules by Raman spectroscopy |
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| Dong Kun,Rao Zhi-fan,Yang Xiao-yun,Lin Jin-chang,Zhang Peng-xiang. The study of several aldehyde molecules by Raman spectroscopy[J]. Spectroscopy and Spectral Analysis, 2011, 31(12): 3277-3280. DOI: 10.3964/j.issn.1000-0593(2011)12-3277-04 | |
| Authors: | Dong Kun Rao Zhi-fan Yang Xiao-yun Lin Jin-chang Zhang Peng-xiang |
| Affiliation: | DONG Kun1,2,RAO Zhi-fan2,YANG Xiao-yun2,LIN Jin-chang2,ZHA NG Peng-xiang1 1.Materials Science and Engineering College,Kunming University of Science and Technology,Kunming 650093,China 2.Analysis and Testing Center,China |
| Abstract: | The Raman spectra of formaldehyde,acetaldehyde,propionaldehyde and n-butyraladehyde(CnH2nO,n=1,2,3,4)were obtained by portable Raman spectrometer.The molecules of the four aldehydes were calculated by density functional theory(DFT).By comparing the calculated result and the experimental result,the bands of these Raman spectra were assigned.Andthe Raman spectra of these aldehydes molecules were analyzed and compared.These aldehydes could be real-time rapidly identi-fied by Raman spectroscopy technology. |
| Keywords: | Formaldehyde Acetaldehyde Propionaldehyde n-butyraladehyde Raman spectra |
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