石榴石金属离子含量与拉曼位移的定量关系研究

Quantitative Relation between Raman Shift and Metal Ion Content in Garnets

本文通过研究RRUFF数据库中12件石榴石样品的拉曼光谱,发现随着金属离子相对含量的变化,特征峰的拉曼位移有规律地偏移,并据此建立了镁铝榴石-铁铝榴石系列中样品的二价阳离子铁镁含量比率与硅氧四面体旋转振动和Si-O伸缩振动拉曼位移的线性关系模型,相关系数分别为0.979和0.986,并用交叉验证法检验了线性模型的可靠性。本文提出的利用拉曼位移进行相对定量分析的方法,可以为拉曼光谱的定量分析提供新的研究思路。

By analyzing the Raman data of 12 garnet samples from RRUFF database,we found that the Raman shift of characteristic peaks move regularly as the relative contents of metal ions change.Based on the experimental findings,two linear models between the ratio of iron and magnesium in pyrope-almandine and R[SiO_4]^(4-),ν_(SiO) Raman shift were established,the linear correlations of which are 0.979 and 0.986.The reliability of linear models was also verified by cross validation,and the result comes out good.Quantitative analysis based on Raman shift presented in this article can provide a new research approach to Raman quantitative analysis.