The Calculation of Ionic Resonance Energies
- 1 October 1949
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 17 (10) , 969-971
- https://doi.org/10.1063/1.1747096
Abstract
A molecular orbital calculation is made of the bond energy between dissimilar atoms, A—B. The principle of the geometric mean and experimental bond energies between similar atoms are used to evaluate the exchange integral. The other parameter needed is the difference in coulombic energy of an electron on atom A and on atom B. This is related to the difference in Pauling's empirical electronegativity values. Numerical results are given for non‐polar bonds and the best polar bonds and comparison is made with experimental bond energies.Keywords
This publication has 5 references indexed in Scilit:
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