Long range intermolecular forces between conjugated systems
- 1 November 1969
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 3 (6) , 823-849
- https://doi.org/10.1002/qua.560030607
Abstract
The long range intermolecular forces in terms of the interaction energies between two conjugated molecules are computed and discussed for the cases: (a) a point charge and ethylene, (b) two ethylene molecules, (c) two hexatriene molecules, (d) two benzene molecules, (e) two naphthalene molecules, and (f) two polar merocyanine molecules. The calculations are based on Buckingham's theory of long range intermolecular forces and the author's values for multipole moments and polarizabilities presented previously. The advantage of the treatment is: asymmetric molecules are correctly described and the intermolecular potential is better approximated than by the usual dipole approximation.Keywords
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