拓扑指数^mN与无机氢化物pKa_1的关系

Relation between topological index ~mN and pKa_1 of inorganic hydride

受Randic分子连接性拓扑指数的启发,构建了电负性拓扑指数mN。用其0,1阶指数0N和1N,与P区无机氢化物的pKa1值关联,拟合成2个回归方程,其相关系数与相关指数分别为0.9954和0.9954。结构选择性达到惟一性表征。预测取得了较好的结果。

Enlightened by the topological index of Randic molecular connection,the electronegativity topological index mN is formed in this paper. By utilizing the link between its 0N and 1N and  P area pKa1 of inorganic hydride, two linear regression equations are obtained,and the correlative coefficient and index are both 0.9954. The structure selectivity of topological index achieves its uniqueness expression. Hence the calculation results are satisfying.