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The hardness of an atom is an important atomic parameter. The present work offers an ansatz to compute absolute hardness (η) based on the conjoint action of three periodic properties, namely effective nuclear charge, electronegativity and radii of atoms of 103 elements of the periodic table. The present computation involves a statistical regression analysis. The new hardness values follow all the sine qua non of periodic property and include relativistic effects. Our computed data runs hand in hand with some popular existing hardness scale. Also, Hardness Equalization Principle is satisfactorily established through our computed molecular hardness. [ABSTRACT FROM AUTHOR]

Electronegativity (χ) is an old yet valuable concept having multidisciplinary applications. To advance the understanding of this concept, an electronegativity model has been proposed based on polarizability within the context of Floating Spherical Gaussian Orbital (FSGO) approach. The model provides atomic electronegativity scale for 120 elements. The calculated electronegativity presents marked periodicity and relates well with other electronegativity scales. Further, Electronegativity Equalization Principle is validated by the computed electronegativity data. The proposed scale has also been successfully applied to compute Fermi energy for some metal oxides. In accordance with the literature, this is the first FSGO‐polarizability based model of electronegativity. [ABSTRACT FROM AUTHOR]

Atomic polarizability is an essential theoretical construct to define and correlate many physicochemical properties. It exhibits periodicity and has a relationship with other periodic descriptors. Although a number of scales are available to compute atomic polarizability, the final scale is yet to be designed. In this venture, we have invoked a new empirical approach to compute the atomic polarizability of 103 elements of the periodic table, considering the conjoint action of other periodic descriptors, namely effective nuclear charge (Zeff) and absolute radii (r). The proposed approach is α = a [ (r 3 / Z eff) e 2 ] + b , where "e" represents the electronic charge, Zeff is the effective nuclear charge, r is the absolute radius, and α is the polarizability. Our computed atomic polarizability follows all sine qua non of the periodicity. Our model significantly exhibits the relativistic effect too. A close agreement between our computed data and other available theoretical and experimental results demonstrates the efficacy of our proposed approach. Furthermore, we have established the polarizability equalization principle in terms of our computed data. [ABSTRACT FROM AUTHOR]