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利用电负性、成键电子数、有效主量子数定义的原子结构参数为t_i,由t_i建构有效主量子数拓扑指数~nK=∑(t_i·t_j·t_k…)~(0.5),其中,0价指数~0K=∑(t_i)~(0.5),1阶指数~1K=∑(t_i·t_j)~(0.5)。~0K、~1K与碱金属卤化物的晶格能、键长、标准熵的相关系数依次为0.9957、0.9849、0.9735。~1K与碱金属卤化物的反应微分截面也具有良好的相关性。~nK是一种比较理想的拓扑指数,可用于碱金属卤化物理化性质的预测。
The atomic structure parameter defined by electronegativity, number of bonding electrons and effective main quantum number is t_i, and the effective main quantum number topological index ~ nK = Σ (t_i · t_j · t_k ...) ~ (0.5) is constructed by t_i, 0 price index ~ 0K = Σ (t_i) ~ (0.5), 1 order index ~ 1K = Σ (t_i · t_j) ~ (0.5). ~ 0K, ~ 1K and alkali metal halide lattice energy, bond length, the standard entropy correlation coefficients were 0.9957,0.9849,0.9735. ~ 1K and alkali metal halide reaction differential cross section also has a good correlation. ~ nK is an ideal topological index, which can be used to predict the physical and chemical properties of alkali metal halides.