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.
出处
《分子科学学报》
CAS
CSCD
北大核心
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)
关键词
主族金属元素
电子脱出功
拓扑指数
电负性
the main group metal elements
the electron work function
topological index
electronegativity
