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本文首先以碳原子2S电子占烷烃的一个Sp~6杂化轨道的1/4,占烯烃一个Sp~2杂化轨道的1/3,占炔烃一个Sp杂化轨道的1/2的粗略计算出发,综合阐述了烃类和一卤代烃的碳原子的2S成份与分子键长,离解能、化合物的酸碱性和分子反应性能之间,存在着某些规律性的联系,其次,推演了S成份与健角之关系式,据此,探讨了Sp~3不等性杂化轨道之间的夹角所遵循的规律,并依据键角的实验数据,计算出某些一卤代烷的碳原子的2S成份,发现2S成份与其键长和离解能之间有很好的直线关系。作者还研究了某些卤代烷的碳原子的2S成份与键长、离解能之间存在的异常现象,并一般地探讨了引起异常现象的原因。
In this paper, the electron of 2S atom of carbon atom occupies 1/4 of one sp ~ 6 hybrid orbit of alkane, 1/3 of a sp ~ 2 hybrid orbit of alkane, 1/2 Based on the calculations, the relationship between the 2S components of the carbon atoms of hydrocarbons and monohalogenated hydrocarbons and the bond length, dissociation energy, acid-base and molecular reactivity of the compounds is comprehensively described. Secondly, Deduced the relationship between the S component and the healthy angle. Based on this, the law of the angle between the sp ~ 3 inequality hybrid orbits is discussed. Based on the experimental data of bond angle, some monoalkyl halides The 2S component of the carbon atom found a good linear relationship between the 2S component and its bond length and dissociation energy. The authors also investigated the anomalies that exist between the 2S components of certain alkyl halides and the bond length and dissociation energy and have generally discussed the causes of the anomalies.