A constrained variational route to Pauling's electronegativity values

Khan, P. ; Bhattacharyya, S. P. (2003) A constrained variational route to Pauling's electronegativity values Journal of the Indian Chemical Society, 80 (5). pp. 521-525. ISSN 0019-4522

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Abstract

Pauling's idea of estimating electronegativities of atoms by using bond-dissociation energy data and the idea of ionic-covalent resonance interaction are examined. Effective Hamiltonian for the perfectly covalent and perfectly ionic structures are defined and a constrained variational recipe to obtain their respective ground state energies suggested. These energies, together with the actual energy of the ground state of a diatom are used to obtain an estimate of the ionic-covalent interaction energy at different values of R. It naturally leads to an estimate of the electronegativity difference ΔX between the atoms at various distances.

Item Type:Article
Source:Copyright of this article belongs to Indian Chemical Society.
ID Code:81945
Deposited On:08 Feb 2012 15:33
Last Modified:08 Feb 2012 15:33

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