电性指数、电性连接性指数及其应用

In this paper the electric index (f_i) of combined atom is defined as f_i=m²_i·x_pi·(n^*_i)^-0.5. f_i has defineated the primary factors to affect hydrated heat of metal ion (ΔH_h) and solubility of metal hydroxide (pK_m). Their relation formulas are set up by least square method: -ΔH_h=260.31+519.31f_i, n′=51, r=0.9693; pK_m=0.0285+1.1358f_i, n′=46, r=0.9642. The calculated values of pK_m are better than the documental method. The electric connectivity index ( ^mF) is built up with f_i, and among them the formulas of zero, first order index are defined as ⁰F=Σ(f_i)^0.5, ¹F=Σ(f_i·f_j)^0.5 respectively. ⁰F and ¹F have highly correlativity for lattice energies (U) of inorganic compounds. Their linear regression equations are proposed as follows: (1) for 47 inorganic compounds, U=-228.41+407.62⁰F+169.38¹F, R=0.9985; (2) for 34 main group compounds, U=-420.39+507.72⁰F+144.96¹F, R=0.9992; (3) for 13 transitional element halides, U=573.80-119.97⁰F+458.58¹F, R=0.9984. The predicting values by ⁰F and ¹F basically tally with the experiment values, and are even more ideal than the theoretical values of document.

ELECTRIC INDEX, ELECTRIC CONNECTIVITY INDEX AND ITS APPLICATIONS