键能/键长指数^mZ及对无机氢化物pKa_1值的预测  

The Bond Energy/bond Length Index ~mZ And Calculation pKa_1 of Inorganic Hydrides

作　　者：徐士友[1] 宋明友[1] 吴蓉[1] 

机构地区：[1]巢湖学院化学系,安徽巢湖238000

出　　处：《巢湖学院学报》2003年第3期63-66,共4页Journal of Chaohu University

摘　　要：受Randic分子连接性拓扑指数mX的启发 ,本文构建了一种新的分子连接性拓扑指数mZ。用mZ的 0 ,1阶指数0 Z ,0 Z和 1Z ,0 Z和杨频的 ρ值分别与 p区无机氢化物的 pKa1值关联 ,拟合成 3个线性方程 ,其相关系数与相关指数分别为 0 .9938,0 .9944和 0 .9948,拓扑指数的结构选择性满足唯一性表征。预测取得了较好的结果。Entightened by the topological index of the Randic molecular connection,the author develops in this paper new molecular connection topological index mZ,Utilizing the link between its 0 Z, 0 Z and 1 Z, 1 Z and Yang Pin's ρ and P area pKa 1 of inorganic hydrides,the writer suggests 3 linear equations.the related coefficient and related index different is 0.9938,0.9944 and0.9948. The structure selectivity of topological index achieves its own only expression.Hence the calculation gains better results.

关 键 词：键能 键长指数 无机氢化物 pKal值 预测 拓扑指数 相关性 结构选择性 

分 类 号：O641.1[理学—物理化学]