论文部分内容阅读
通过对内对间相关能的计算,发现Cl,Cl-及其化合物中的K电子层的对内相关能基本上是一常数,而且Cl的K,L层电子层内相关能和它们之间的层间相关能也变化很小.另外,所研究的MCl系列化合物中Cl价电子对相关能的贡献是跟MCl的离子性有关,即随着化合物离子性的增加而增加,但其相关能最大不大于Cl离子的,最小不小于Cl原子的.这些规律对人们考虑一些化合物的相关能,以至化学反应能量很有参考意义.
Based on the calculation of the relative energy of the interior to the interior, it was found that the internal correlations of the K electron layers in Cl, Cl- and their compounds are essentially constant and that the correlation energies in the K and L layers of the Cl and their correlation energies The correlation between layers can also change very little. In addition, the contributions of Cl valence electrons to related energies in the studied MCl series of compounds are related to the ionicity of MCl, that is, as the ionicity of the compounds increases, but the maximum correlation energy is not more than that of Cl ions, and the minimum is not less than Cl atoms. These laws give people a good idea of the relative energy of some compounds and even the energy of chemical reactions.