一个新的结构信息指数Y_M及其与二元氧化物光学碱度的相关关系研究  

A Newly Proposed Structural Information Index Y_M and Its Application in Correlation with OPtical Basictties of Binary Oxides

作　　者：周新花[1] 余训民[1] 

机构地区：[1]武汉大学化学与分子科学学院,湖北武汉430072

出　　处：《武汉大学学报（理学版）》2001年第4期415-418,共4页Journal of Wuhan University:Natural Science Edition

摘　　要：提出了一个新的结构信息拓扑指数 YM,并用 YM研究了二元氧化物光学碱度的新标度 .结果表明 ,YM与二元氧化物的光学碱度呈良好的线性关系 .计算了 10 0余个二元氧化物的光学碱度值 ,结果与二元氧化物的实际酸碱性顺序符合得很好 .新方法可标度周期表中二元氧化物的光学碱度 .This paper proposed a new structural information topological index Y M, the Y M of binary oxides MO m/2 molecules were calculated. The linear least squar regressian shows that corraeletion ship between Y M and the optical basicities of some binary oxides is excellent. Through calculation of optical basicities of 110 homologous chemical compounds, it is shown that the results of calculation are in accordance with experiments. The method also applies to the binary oxides of subgroup elements.

关 键 词：拓扑指数 二元氧化物 光学碱度 结构信息指数 线性关系 分子拓扑学 

分 类 号：O611.62[理学—无机化学] O641.21[理学—化学]