主族金属元素电子脱出功与拓扑指数~mP的相关性  

Relativity between the electron work function of the main group metal elements and topological index ~mP

作　　者：吴蓉[1] 汪海燕[1] 孟祥珍[1] 徐士友[1] 

机构地区：[1]巢湖学院化学与材料科学系,安徽巢湖238000

出　　处：《分子科学学报》2010年第6期436-438,共3页Journal of Molecular Science

基　　金：巢湖学院重点科研基金资助项目(XLZ-201003)

摘　　要：利用Pauling电负性xpi、原子的价电子数mi和原子的价电子层数ni构建了点价iδ.由点价iδ构建了拓扑指数mP.利用其0阶指数0P与23种金属元素电子脱出功关联,拟合成3个线性回归方程.相关系数为0.9803,0.9870和0.9878,均优于文献值.预测取得了较好的结果.Electronegativity xpi,number of valence electron mi and number of valence electron shell of atom ni were used to build δi,a new topological index m P was proposed from δi.Using 0 P with 23 kinds electron work function of the main group metal elements,3 regression equations were suggested.Their correlation coefficient was 0.9803,0.9870 and 0.9878.

关 键 词：主族金属元素 电子脱出功 拓扑指数 电负性 

分 类 号：O641[理学—物理化学]