Allen电负性标度的理论基础  

Theoretical Support for Allen Electronegativity Scale

作　　者：喻典[1] 

机构地区：[1]重庆师范大学化学学院,重庆400047

出　　处：《重庆师范大学学报（自然科学版）》2005年第3期46-47,共2页Journal of Chongqing Normal University:Natural Science

基　　金：重庆市教委科学技术研究项目(NO.040806)

摘　　要：用密度泛函理论论证了A llen电负性的合理性。表明如何能够用原子价层轨道能对A llen电负性进行标度,从而使周期表中元素的A llen电负性更容易被计算和理解。Allen electronegativity is demonstrated by density functional theory. It shows how Allen electronegativities in every element can be derived from energy of valence orbit of atom. This leads to a new set of electronegativities in every element in the periodic table that can be easily calculated and understood.

关 键 词：Allen电负性 原子价层轨道能 密度泛函理论 

分 类 号：O612[理学—无机化学]