4.0 Article

Gordy's electrostatic scale of electronegativity revisited

期刊

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
卷 906, 期 1-3, 页码 87-93

出版社

ELSEVIER SCIENCE BV
DOI: 10.1016/j.theochem.2009.04.007

关键词

Scale of electronegativity; Effective nuclear charge; Electrostatic model; Intrinsic vs. in situ property; Periodicity and electronegativity

向作者/读者索取更多资源

Gordy identified electronegativity of an atom with the electrostatic potential felt by one of its valence electrons and suggested an ansatz, chi = Z(eff)/r(cov) where chi is the electronegativity, Z(eff) is the effective nuclear charge and r(cov) is the radial distance equal to atom's single bond covalent radius. In this report we have elucidated that the use of covalent radius in evaluating the electronegativity, (chi), of atoms through Gordy's formula, chi = Z(eff)/r(cov) is not justified. Armed with this knowledge and relying upon the electronegativity equalization principle, we have argued that the most probable radius (Slater radius), and not the covalent radius, is the fundamental size descriptor of atoms in mathematical formulation of electronegativity property of atoms. We have also suggested that the electronegativity, chi, is not equal to Z(eff)/r according to Gordy's original formula rather it is proportional to Z(eff)/r and the new electronegativity ansatz is chi = [a(Z(eff)/r) + b], where a and b are constants and r is the Slater (most probable) radius of atoms. We have taken care so that the electronegativity is evaluated in proper unit i.e. energy unit. We have computed the electronegativity of 103 elements of the periodic table through the new suggested ansatz and using Slater radii and effective nuclear charge computed by us. The evaluated new electronegativities are found to satisfy the sine qua non of a reasonable scale of electronegativity by exhibiting periodicity of periods and groups, and observing silicon rule and correlating many physicochemical properties of elements. The intrinsic inertness of Hg atom is revealed in the present scale. (C) 2009 Elsevier B.V. All rights reserved.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.0
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据