A NEW SCALE OF ELECTRONEGATIVITY BASED ON ABSOLUTE RADII OF ATOMS

电负性 Atom(片上系统) 化学 原子半径 周期表 正式收费 半径 原子物理学 计算化学 范德瓦尔斯半径 热力学 化学键 分子 物理 有机化学 范德瓦尔斯力 计算机科学 嵌入式系统 计算机安全
作者
Dulal C. Ghosh
出处
期刊:Journal of Theoretical and Computational Chemistry [World Scientific]
卷期号:04 (01): 21-33 被引量:36
标识
DOI:10.1142/s0219633605001556
摘要

A new scale of electronegativity is designed on the basis of the environment independent absolute radii of atoms. In this scale, the electronegativity is an intrinsic free-atom property and the basis of assumption is quantum mechanically viable. The qualitative relation between the size and electronegativity is relied upon and a quantitative general formula of evaluation of electronegativity in terms of the absolute radii of atoms is suggested as χ = a × (1/R)+ b, where χ is electronegativity and R is absolute radius of atoms, a and b are two constants determined by least square fitting for each period of elements separately. A number known as electronegativity is computed for each 103 elements of periodic table through the above formula and the unit assigned to χ is energy. The new scale of electronegativity is found to observe the simple rules that all the scales of electronegativity must obey. The evaluated scale reproduces the silicon rule where the electronegativities of the eight elements of metalloid group are very close to each other and the electronegativity of silicon atom is smallest of the group. A striking feature of the new scale is that the electronegativity of N atom is greater than that of Cl atom. The characteristic properties of chalcogens and transition metal atoms have been nicely correlated in terms of the computed values of χ of such elements. The evaluated electronegativities of the elements beautifully exhibit the periodic behaviour of periods and groups of the Periodic Table. The revealed internal consistencies suggest that the present effort of introducing a scale of electronegativity based on absolute radius of atoms is largely successful.

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