摘要
运用基团中基原子的价层轨道能和本文中定义的有效价电子数的概念,建立了一个新的计算基团电负性的公式: X_G=-0.18∑n_1E_1/∑n~*运用上式,计算了192个普通的离子基团和中性基团的电负性.计算结果与国内外新近的几套基团电负性相当一致。
Using the energy of valence orbits of radical atoms in the groups and the concept of the number of effective valence electron, a new formula for calculating group electronegativities has been obtained:X_G=-0.18∑n_1 E_1/∑n~*The group electroncgativities for 192 common ionic groups and neutral groups have been calculated. The results of present study agree quite well with the several sets of group electronegativities published in literatures recently.
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
1990年第7期627-631,共5页
Acta Chimica Sinica
