Abstract
We are introducing an alternative analytical expression to the electronegativity difference (∆χ) as a function of the charge ge, g is the charge factor, the fraction of the electronic charge devoted to the bond and e the elementary charge, the packing factor (p) and the effective atomic number (Zeff) of binary ionic solids, by using the very basic Coulomb interaction, modified by the introduction of p, and the relationship between the electric dipole moment (µ) and ∆χ in Debye units. When compared to the Pauling’s, Gordy’s, Allred-Rochow’s and Allen’s scales, our calculations deviate around 10% to all ionic crystals with such data available in the literature. A very simple expression with satisfactory estimates, with no need of numerical procedure, is announced. The values of g play the important role of indicating the character of the chemical bond. It opens up an alternative opportunity to understand the nature of ionic chemical bonds and is able to describe the character of the bonding in any ionic polyatomic system.
Highlights
The nature of the chemical bond has been studied since the beginning of the 20th century
U must depend on the atomic number of the interacting species and is modulated by the packing factor, p, because the change of the size of the chemical species involved in the ionic bonding is due to the charge transfer. p is obtained through a similar expression used in solid state physics, but using both crystalline and ionic radii of the interacting species
We are announcing an alternative analytical expression to calculate the electronegativity difference (∆χ) of any binary ionic solid, by postulating a relationship between ∆χ, the effective charge involved in the bond and the effective atomic number (Zeff). This expression was applied to nine binary compounds, namely, BeO, LiF, Al2O3, MgO, NaF, SiO2, CaF2, ZnO and Eu2O3
Summary
The nature of the chemical bond has been studied since the beginning of the 20th century. The first studies[10,11,12] on how electrons are distributed between two chemical species involved in a chemical bond gave raise the concept of covalence. Pauling was the first to define a quantitative procedure to analyze the ionicity and covalence of a chemical bond, by introducing the concept of electronegativity as “the power of an atom, in a molecule, Pauling was successful in setting up an empirical scale and interpreted with the help of quantum mechanics, the electronegativity is not a concept with an exact quantitative definition. In 1935, Mulliken[2] introduced a new absolute scale of electronegativity based on electron affinity, ionization potential and molecular orbital theory. There are publications which tabulate data and show different ways of discussing Mulliken’s electronegativity.[15,16,17,18]
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