简单无机小分子和离子的p-p型离域π键的判断

Determination of the Delocalized π Bond of p-p Type in Simple Inorganic Molecules and Ions

由于π键的存在使得分子或离子的物理与化学性质发生变化,因此准确判断π键和其类型是无机化学相关内容的难点之一。文章尝试利用杂化轨道理论、价层电子对互斥理论和分子轨道理论,推导一些简单无机分子或离子有无π键以及π键的类型。结果证明常见的含有p-p轨道成键无机分子和离子的π键可以被准确地推导出。但是仍有个别特例需以实验测试结果为准。

Due to the delocalizedπbond,the physical and chemical properties of molecules or ions could be modified.The determination of the existence and type of delocalizedπbond is a teaching important point in inorganic chemistry.On the basis of the theory of hybrid atomic orbital,Valence Shell Electron Pair Repulsion and the requirement of the formation ofσandπbond in molecular orbital theory,the present work takes advantage of the three theories to deduce the existence and type ofπbond.The results confirmed that the type of the delocalizedπbond of inorganic molecules and ions formed by p-p orbital could be determined exactly.However,there are still some special cases which need to be determined by the experimental results.