结构参数F_1对气态AB_n型分子标准生成焓的定量关系研究

Studies on the Relationship Between Structural Paremeter F_1 and △_fH_m~■of AB_n compounds of Gas State

本文用矩阵的方法定义了结构参数Ｆ_１，Ｆ_１由三个矩阵相乘得到一个无量纲的数，它考虑了分子中原子之间的联结关系，顶点原子的特点和相邻原子的成键情况。用 Ｆ_１对 １１６个气态 ＡＢ_ｎ型分子的标准生成焓进行相关性研究，相关系数Ｒ为０．９５６０。

A structural parameter F_1 is proposed for AB. molecules. (A = Al, As, Cu, Fe, Hg, Re, Sb, Se, Ti, W, Zr, Si, Te, U, V, Sn, Co, Ge, Ga, Ni, Ru, Ta, S; B = F, Cl, Br, I, O, S, Se, Te) F_1 is correlative with the atomic electronegativity, the connective cases, the covalent radius, the number of the valence electron of atom B and the number of the bonding electron of atom A. The values of F_1 are calculated. the linear relationship between F_1 and△_fH_m~ ■ for 116 compounds is obtained. The correlation coefficient is 0.956.