偶氮和三氮烯试剂分光光度法测定锌的定量构效关系研究  

QSAR IN SPECTROPHOTOMETRIC DETERMINATION OF ZINC WITH AZO AND TRIAZENE AS CHROMOGENIC REAGENTS

作　　者：周能[1] 黄中强[1] 陈光全[1] 黄志伟[1] 

机构地区：[1]玉林师范学院,广西玉林537000

出　　处：《化学分析计量》2009年第3期20-22,共3页Chemical Analysis And Meterage

基　　金：广西教育厅科研项目;桂教科研〔2004〕47号

摘　　要：以构效关系（QSAR）基本原理为基础,根据分光光度法中显色剂分子的结构特征,选择并利用连接性指数、Broto-Moreau自相关指数和边连接矩阵特征值等分子结构参数,通过线性回归方法获得了锌的最大吸收波长与显色剂分子结构参数间良好的线性相关模型。相关系数在0.60-0.82之间,标准偏差为0.22-0.29。Based on the tenets of QSAR and by the structural characteristics of chromogenic reagent in the determination of zinc, molecular structure parameters such as connectivity indices, Broto - Moreau autocorrelation indices and eigenvalue 02 from edge adj. matrix were chosen and applied to establish the QSPR model. Through linear regression method, good models were got between molar absorption coefficient and maximum absorption wavelength and the molecular structure parameters of chromogenic reagent. The correlation coefficients were 0.60 - 0.82 and the standard deviations were 0.22 - 0.29.

关 键 词：构效关系 线性回归 结构参数 

分 类 号：O621.2[理学—有机化学] S816.17[理学—化学]