物理化学学报 >> 2009, Vol. 25 >> Issue (01): 155-160.doi: 10.3866/PKU.WHXB20090128

研究论文 上一篇    下一篇

原子核强度电势和原子价层电量对元素电负性的标度

余德才; 曹文娟; 余旭东   

  1. 河北工程大学理学院, 河北 邯郸 056038; 石家庄经济学院数理学院, 石家庄 050031; 复旦大学化学系, 上海 200433
  • 收稿日期:2008-07-04 修回日期:2008-08-12 发布日期:2008-12-31
  • 通讯作者: 余德才 E-mail:yudecaigood@163.com

Scale of Element Electronegativity by Intensive Electrostatic Potential of Atomic Nucleus and Quantity of Electricity of Atomic Valence Shell

YU De-Cai; CAO Wen-Juan; YU Xu-Dong   

  1. College of Science, Hebei University of Engineering, Handan 056038, Hebei Province, P. R. China; School of Mathematics and Science, Shijiazhuang University of Economics, Shijiazhuang 050031, P. R. China; Department of Chemistry, Fudan University, Shanghai 200433, P. R. China
  • Received:2008-07-04 Revised:2008-08-12 Published:2008-12-31
  • Contact: YU De-Cai E-mail:yudecaigood@163.com

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摘要： 根据万有引力势与电势的关系式和系统的对比质电比(单位电量的质量)的物理意义, 定义了系统的强度电势——单位质量的电势. 研究表明, 元素电负性XSc与原子核在原子边界面上的强度电势Vic和价层电子电量qcj成线性关系. 采用回归分析法, 对周期表中除零族、氢及放射性元素之外的77种元素的Pauling电负性(XP)进行回归分析, 得到了一个无量纲的综合性的电负性计算公式, 相关系数(R=0.9844)和回归方程F检验的显著性水平(Sig.=0.0000)表明, XSc与Vic和qcj密切相关, 77种元素的拟合值与XP十分接近, 平均绝对误差仅为0.084; 并预测出较为合理的稀有气体元素的电负性. 用该式可以方便而更准确地计算除氢以外的所有元素的电负性; 同时也给出一条获取离子电负性和基团电负性的新途径.

关键词: 元素电负性, 强度电势, 价层电子电量, 对比质电比, 原子半径

Abstract: According to the relationship between gravitational potential and electrostatic potential, as well as considering the physical meaning of the contrastive mass-to-electricity (mass per unit quantity of electricity) a definition of intensive electrostatic potential of the system(the electrostatic potential per unit mass) was proposed. Our research indicates that the electronegativity of elements (XSc) varied with the intensive electrostatic potential of atomic nucleus Vic and the quantity of electricity of atomic valence shell qcj. A formula for non-dimensional synthetic electronegativity was obtained by multiple regression analysis. The correlation coefficient (R=0.9844) and test of significance (Sig.=0.0000) showed that XSc was closely related to Vic and qcj. The average absolute error of the 77 determined elemental electronegativities was 0.084, compared with Pauling electronegativities. The electronegativity of all elements except H may be calculated conveniently and accurately with our formula, and thus it is a new method for calculating the electronegativity of ions and groups.

Key words: Electronegativities of elements, Intensive electrostatic potential, Electricity of valence shell electrons, Contrastive mass-to-electricity, Atomic radius

MSC2000: 

  • O641