基团电负性与CH3—X和R—X的键裂能关系

The Relation Between the Group Electronegativity and the Bond Dissociation Energies of CH 3 X,R X

利用基团电负性ＸＧ分别建立了计算ＣＨ３—Ｘ键与Ｒ—Ｘ键的键裂能方法．计算得到的８个ＣＨ３—Ｘ，２０个Ｒ—Ｘ可比较数据的平均偏差分别为２．０６ｋＪｍｏｌ－１，２．６７ｋＪｍｏｌ－１．

By using the group electronegativity,the paper has been built up the methods for calculating the bond dissociation energy of CH 3 X and R X,respectively.For 8 methyl derivatives, 20 alkyl devivatives with experimental data,the average deviation are 2.06kJ·mol -1 ,2.67kJ·mol -1 ,respectively.