对强荧光背景拉曼光谱定量分析的研究

针对拉曼光谱定量分析中的难点问题—对具有强荧光背景物质的定量分析，文章分别对具有较强荧光背景的不同浓度下的纯甲醇溶液及不同浓度比例的甲醇和乙醇混合溶液的拉曼光谱数据采用新的归一化法结合基线校准技术进行拉曼光谱定量分析;同时，对由数据采集时的时空差异所引起的样品数据组间的波动性进行了研究。模拟时空变化来采集定量分析中所需的谱数据，并使用统计学方法评价样品的组间差异，讨论了此方法对样品组间差异的消除效果。研究证明，此方法具有较好的分析精度和消除不同样品组数据的组间差异的能力，对甲醇的定量分析，其相对误差为4.7%，组间数据的相对标准偏差为4.2%。从而使对具有强荧光背景干扰的溶液进行简单、快速、精确的定量分析成为可能。

Raman Spectra Quantitative Analysis on Materials with Strong Fluorescence Background

Aiming at the difficulty of Raman spectra quantitative analysis on materials with strong fluorescence background, together with baseline correction, a new normalization method was performed for concentration quantitative analysis of two kinds of solutions which exhibit strong fluorescence background, the methanol solutions with different concentrations and the mixed solutions of ethanol and methanol with different ratios of concentration. Meanwhile, the data fluctuation caused by collecting spectra data at different space-time was investigated by using statistical method of randomized blocks analysis of variance to evaluate the data fluctuation among different sample groups, and the function of our method proposed in this paper to eliminate this data fluctuation was discussed. Experimental results demonstrate that our proposed method can not only obtain satisfied accuracy for Raman spectra quantitative analysis on methanol with strong fluorescence background, with the mean relative error being 4.7%, but also effectively eliminate the data fluctuation among different sample groups, and the relative standard deviation of them was only 4.2%, indicating that it is possible to carry out simple, quick and precise quantitative determination of sample content for the materials with strong fluorescence background.