无机含氧酸酸性与分子拓扑指数

The Inorganic Oxygen Acids and the Molecular Topogical Index

本文提出了一种新的分子拓扑指数：Y=((δ_R+h)(m+k^(0.25(m+1)))/(δ_R^(0.5)+N^(0.5))),它与27种无机含氧酸酸性pKa(1)的线性方程为：,R=0．986．结果表明,Y具有良好的结构选择性和性质相关性,可用于预测其它无机含氧酸的酸性pKa(1)值．

A new molecular topological index [Y=（δR＋h）（m＋k^0.25（m＋1）/（δR^0.5＋n^0.5）] is defened in this paper. The linear equation between the new molecular topological index and 27 kinds of pKa（0） inorganic oxy- acids is pka1= 11.290-0.429δR ＋L26δn-2.924Y,R = 0.986. It is concluded that the new molecular topological index has good structure selectivity ＆ property relativity and it can calculate the numerical value of other pKa（1） inorganic oxy - acids.