无机氢化物pK_a1与拓扑指数^mT的关系

Relationship between pK_(a1) of Inorganic Hydride and Topological Index ~mT

在Randic分子价连接性拓扑指数的基础上,构建了价电子轨道平均能量拓扑指数mT 用其0,1阶指数0T,0T和1T以及Pauling电负性差的平方分别与P区无机氢化物的pKa1值关联,拟合成3个回归方程,其相关系数分别为0.9958,0.9960和0.9965,结构选择性达到唯一性表征

Based on the topological index of Randic molecular connection, the authors construct the topological index mT averagy energy of valence electron orbit. Utilizing the link between its 0T, 0T and1T,0T and (χA-χH)2 and pKa1 of inorganic hydride in p area, the paper suggests 3 linear equations. The related coefficient difference is 0.9958, 0.9960 and 0.9965. The structure selectivity of topological index is unique. Hence the calculation gains better results.