作　　者： ;

机构地区： 湖北师范学院化学与环境工程学院化学系

出　　处： 《江西师范大学学报（自然科学版）》 1991年第2期150-155,共6页

摘　　要： 本文基于原子的价层轨道平均结合能,运用逐级均分法,建立了一个用以计算基团电负性的简单方法:X_H=0.176(E_(A 平)·E_(A 平)~b·E_(C 平)~c)1/1+b+c我们运用上式计算了136个常见基团电负性,其结果与国内外新近的几套基团电负性相近.而且本文提出的基团电负性具有能量单位,从而反映了电负性的物理本质,即电负性是一种能量的标度. Based on the average binding energies of the atomic valence orbitals,the paper try estabishing a simple formula for calculating the group electronegativities with the layer-by-layer equilitrating method: X_H=0.176(E_(Aav)·E_(Bav)~b·E_(Cav)~c)1/(1+b+c) By this formula,the 136 group electronegativities are calculated and the results of present study coincide with recent several sets of group electronegativities data.The group electronegativities calculat- ed by this method have the unit of energy,so it reflects the group electronegativities physical nature that the group electronegativities is scale of the energy.

关 键 词： 基团 电负性 价层轨道 结合能

领　　域： [理学] [理学]