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MX_3(M=B,Al,Sc,Y,La,In和Ga)卤化物的生成热可用卤离子的价态元素电负性x_m表示: 其中a和b是经验常数,参数3、e和r_k分别表示阳离子的价数,电子的电荷和阴离子半径。3e~2/r_k的值相当于M~(3+)离子(3e)的有效核电荷和与核距离为离子半径r_k的一个电子间产生的静电能,经验常数a和b与M~(3+)的电负性相关,该式既可由电负性的值预言生成热或离子半径的值,也可反过来预言电负性的值。YBr_3(S)和BI_3(g)的生成热被估算分别为-200K cal/mol和3K cal/mol。从而也验证了用原子的极化率计算的价态元素电负性的可靠性。
The heat of formation of the halides of MX_3 (M = B, Al, Sc, Y, La, In and Ga) can be represented by the valence element electronegativity x_m of the halide: where a and b are empirical constants and parameters 3, e and r_k Respectively denote the valence of the cation, the charge of the electron and the radius of the anion. The value of 3e ~ 2 / r_k is equivalent to the effective nuclear charge of M ~ (3+) ion (3e) and the electrostatic energy generated by an electron with distance r_k from the core. The empirical constants a and b and M ~ (3) +), Which predicts the value of the heat or ionic radius from the value of electronegativity, and in turn predicts the value of electronegativity. The heat of formation of YBr_3 (S) and BI_3 (g) is estimated to be -200 Kcal / mol and 3 Kcal / mol, respectively. Thus, the reliability of valence electronegativity of valence elements calculated from the polarizability of atoms was also verified.