拓扑指数^mZ与无机氢化物pKa1的关系  

The Topological Index mZ and Its Relationship with pKa1 of Inorganic Hydrides

作　　者：徐士友[1] 汪海燕[1] 

机构地区：[1]巢湖学院化学系,安徽巢湖238000

出　　处：《长春工业大学学报》2003年第3期21-23,共3页Journal of Changchun University of Technology

摘　　要：受Randic分子连接性拓扑指数的启发,构建了拓扑指数mZ。用其1阶(1z)指数,1阶指数和元素电负性差的平方(xA-xH)2与13种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0.993 8和0.996 1.结构选择性达到唯一性表征,预测取得了较好的结果。Enlightened by the topological index mX of the Randic molecular connection, the author develops a topological index mZ, the valence electron orbit energy. Utilizing the link between its 1Z, 1Z and (XA-xH)2 and 13 kinds pKa1 of p area inoganic hydrides, two regression equations were suggested, the relevant coefficient and the relevant exponent are is 0. 993 8 and 0. 996 1 respectively, which show that the structure selectivity is unique. Hence the calculation gains better results.

关 键 词：价电子轨道能量 无机氢化物 pKa2 拓扑指数 结构选择性 相关性 

分 类 号：O641[理学—物理化学]