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本文系统地对共价型分子氢化物中ν_(X-H)与电负性n/r(X)或n~*/r~*(Y)的关系进行了研究。发现二者之间存在良好的线性关系。在HnX-H型分子中,若X为周期表中的同族元素时,其线性方程为:υ_(X-H)×10~(-2)=Kn/r(X),式中K为与原子X的价电子数有关的常数;若X为同周期元素时,其线性方程为:υ_(H-X)×10~(-2)=A+B n/r(X),其中A、B为常数,其值分别由原子X的主量子数与价电子数所决定。在YnX-H型分子中,υ_((H-X)与n~*/r~*(Y)也存在线性关系:υ_(X-H)×10~(-2)=a+b∑n~*/r~*(Y),式中a、b为常数,其值与元素X在周期表中的位置有关。根据本文所提出的方程式所计算的γ_(X-H)值与已发表的数据相符或相近。因此,这些公式可作为应用红外光谱测定原子或基团电负性的依据,从而也验证了作者之一于前文所提出的计算电负性的方法的合理性。此外,还对这些方程式的特性作了初步的分析与讨论。
In this paper, the relationship between ν_ (X-H) and electronegativity n / r (X) or n ~ * / r ~ * (Y) in the covalent molecular hydride system has been studied systematically. Found a good linear relationship between the two. In the HnX-H type molecule, if X is a homologous element in the periodic table, the linear equation is: υ_ (XH) × 10 -2 = Kn / r (X) (2) = A + B n / r (X), where A and B are constants, and the constant is related to the number of valence electrons. If X is the same periodic element, the linear equation is: Their values are determined by the principal quantum number and the valence electron number of atom X respectively. In the YnX-H type molecule, there is also a linear relationship between υ _ ((HX) and n~ * / r ~ * (Y): ν_ (XH) × 10 -2 = a + bΣn ~ * / ~ * (Y), where a and b are constants, and their values are related to the position of element X in the periodic table. The calculated value of γ_ (XH) according to the equation proposed in this paper is consistent with or similar to the published data. Therefore, these formulas can be used as the basis for the determination of the electronegativity of atoms or groups by using infrared spectroscopy, thus verifying the validity of one of the authors in the above method of calculating electronegativity. Made a preliminary analysis and discussion.