A scale of absolute hardness based on the conjoint action of other properties

Abstract

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.

GRAPHICAL ABSTRACT

KEYWORDS:

• Periodicity
• d- and f-block contractions
• electronegativity
• radius
• Hardness Equalization Principle

Acknowledgements

Dr Tanmoy Chakraborty is thankful to Sharda University, and Dr Hiteshi Tandon is thankful to Manipal University Jaipur for providing computational resources and research facilities.

Disclosure statement

No potential conflict of interest was reported by the author(s).