Calculation of Intermolecular Force Constants from Polarizabilities
- 1 March 1956
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 24 (3) , 501-506
- https://doi.org/10.1063/1.1742536
Abstract
Two quantum mechanical approximation formulas due to Slater and Kirkwood are modified empirically such as to relate the empirical intermolecular force constants of a two‐parameter potential to the average polarizabilities and the number of valence electrons of the interacting molecules. Their usefulness is demonstrated in predicting the force constants of the Lennard‐Jones (12—6) potential of fourteen nonpolar gas molecules and of one polyatomic group in a polymeric chain molecule. The limited applicability of the modified Slater‐Kirkwood formulas to dipolar and/or nonspherically symmetric molecules is discussed.Keywords
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