原子特征参数δ_i~′和连接性指数~mL及其应用

δ_i~′ and^mL and their application

原子特征参数 (δ′i)被定义为 :δ′i =Zi·Xpi2 · (ni- 1) - 1.由δ′i 建构无机分子的连接性指数 ( mL) ,其中 :0 L =Σ(δi′) 0 .5,1L =Σ(δi′·δj′) 0 .5.( 0 L) 2 与 33种过渡元素卤化物的ΔfH 的 R 为 0 .9692 ,( 1L) 0 .5与 2 0种碱金属卤化物的ln( 1/ U)的R 为 0 .994 8。

The atomic characteristic parameter δ ′ i is defined as : δ ′ i=Z i·X 2 pi ·(n i-1)-1 in this paper. The molecular connectivity indexes ( mL) are set up by δ i. Among them the formulas are  0?L =Σ(δ ′ i) 0.5  and  1?L =Σ(δ ′ i·δ ′ j) 0.5  respectively. The correlation coefficients between  0?L 2 and Δ f H  of 33 transitional element halides, ( 0?L) 0.5  and ln(1/U) of 20 alkali metal halides are 0.969?2 , 0.994?8 respectively. Their correlativities are more ideal than those of the literature methods. It has been demonstrated that the method possesses the advantages of easy computation, clear physical significance and convenient application.