离子极化力连接性拓扑指数的应用

Study on the Ionic Connectivity Topological Index of Polarization Power and its Applications

本文提出离子极化力连接性拓扑指数 ,定义为 :mX =Σ(gi×gj…… ) -0 5,gi 为原子的极化力值。其 0、1阶指数公式分别为 :0 X =Σ(gi) -0 5,1X =Σ(gi×gj) -0 5。0 X、1X与 5 6种金属卤化物的晶格能 (U)呈优级线性关系 ,回归方程为 :U =-63 1 5 8+1 0 61 65 0 X +1 71 9 5 91X r=0 9996另外 ,0 X、1X与碱金属卤化物的磁化率。

In this paper the ionic connectivity topological index of polarization power is defined as mX =Σ( g i×g j ……) -0 5 . Among mX, g i is a polarization power value of atom. Its formulas of zero, first order topological index are 0 X= Σ( g i ) -0.5 , 1 X =Σ( g i×g j ) -0.5 respectively. The linear regression equation of 0 X、 1X and lattice energy( U ) of metal halide is proposed as follows: U=-631.58+1061.65 0X+1719.59 1X r=0.9996 Besides , the magnetic susceptibility and bond length of alkali metal halides and 0 X 、1 X have the remarkable correlation too.