【摘要】 原子点价 (gi)定义为 :gi=(1+m2 i)· (χpin i) 0 .5.gi与Ln3+ 离子的 5种理化性质具有良好的相关性 ,由 gi得出的计算值优于文献的计算值 由 gi 建构原子点价连接性指数 (mG) ,其中 :0 G =Σ(gi) 0 .5,1G=Σ(gi·gj) 0 .5.0 G ,1G与 4 7种无机物晶格能 (U)的线性回归方程为 :U=- 312 .13+2 72 .980 G +2 85.6 91G ,R =0 .9990 .其预测值与实验值基本吻合 ,优于相应的理论值 mG具有良好的结构选择性和性质相关性更多还原

【Abstract】 The atomic point valence ( g i ) of freed and combined atoms is defined as g i=(1+m 2 i)·(χ p i n  i) 0.5 .g i has fine correlativity for 5 physico chemical properties of Ln 3+ ions. The calculated values by g i are better than those of the document.The connectivity index ( mG) of atomic point valence is set up by g i ,and among them the formulas of zero,first index are: 0 G =Σ(g i) 0.5 , 1 G =Σ(g i·g j) 0.5 . The linear regression equation between 0 G , 1 G and the lattice energies ( U) of inorganic compounds is proposed as follows: U=-312.13+272.98 0G+285.69 1G,n′=47,R=0.9990. The predicting values by 0 G and 1 G basically tally with the experiment values,and are better than the theroetical values.It is concluded that the indices bear good sturcture selectivity and property relativity.更多还原