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本文提出估计气体双原子分子键长的公式:式中N_A和N_B是周期因子,其值决定于元素A和B在周期表中的位置,第一至第六周期分别为0.81,1.54,2.02,2.2,2.35和2.52,X_A和X_B是元素A和B调整后的鲍林电负性值;b是经验系数,对于氢化物是0.036,其他化合物为0.088;n值对氢化物是价电子数减2,其他化合物则减8。 根据这个公式,计算了161个化合物的键长,计算值与实验值间的平均误差为0.031A。
In this paper, we propose a formula for estimating the bond length of gas diatomic molecules: where N_A and N_B are periodic factors whose values depend on the positions of elements A and B in the periodic table. The first to sixth cycles are 0.81, 1.54, 2.02, 2.2, 2.35 and 2.52, X_A and X_B are the Pauling electronegativities adjusted for elements A and B; b is the empirical coefficient, 0.036 for hydride and 0.088 for other compounds; and n is the valence electron number for hydride 2, minus 8 for other compounds. According to this formula, the bond length of 161 compounds was calculated. The average error between the calculated value and the experimental value was 0.031A.