A new formula for the evaluation of the ionization energy based on the orbital exponents of the atoms of 118 elements of the periodic table

Jana, Arindam and Islam, Nazmul (2010) A new formula for the evaluation of the ionization energy based on the orbital exponents of the atoms of 118 elements of the periodic table. Journal of Theoretical and Computational Chemistry, 09 (03). pp. 637-651. ISSN 1793-6888

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Official URL: https://doi.org/10.1142/S0219633610005840

Abstract

We propose a simple approach for the calculation of the ionization potentials of atoms in terms of their orbital exponents. The prescription is simple and utilizes only the simple Bohr equation with some modifications. We have pointed out that the atomic first ionization energy not only depends on the principal quantum number (n) but also on the azimuthal quantum number (l) of the orbital (n, l) on which the electron of interest is present. The formalism is tested through the calculation of the atomic ionization potentials of 118 elements of the periodic table. The orbital exponent values for 118 elements of the periodic table are computed following the suggestions of Reed. The calculated numerical results for a number of atoms are shown to agree quite well with their experimental counterparts. To perform the validity tests of the present scale of ionization potential, various physico-chemical properties of the atoms are also correlated on the basis of the computed ionization potential data. It is found that the stability of the half filled configuration depends on the orbital (n, l) on which the electron is present. The expressed periodic behavior and correlation of the most important physico-chemical properties of elements suggest that the present method of evaluation of the ionization potential of the atoms is quite a successful venture.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: LA manjunath user
Date Deposited: 12 Jul 2019 05:49
Last Modified: 11 Dec 2019 05:40
URI: http://eprints.uni-mysore.ac.in/id/eprint/5116

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