卤代甲烷分子中s键轨道的特征

THE CHARACTER OF s-HYBRID BONDING ORBITALS IN THE HALOMETHANES

本文借助最大重叠杂化轨道理论,研究了卤代甲烷系列分子的红外伸缩频率,基团电负性和质子酸度等分子性质与结构的关系.明确地反映了这类分子的化学键特征和卤素取代基对分子性质的影响.

The maximum overlap method was used to study the relationships the C-H stretching frequencies, group electronegativities and proton acidity properties and the molecular structure in the halomethanes. The results gives a good description of the effect of the character of bond and the effect of halogen-substitvted on the properties.