Intermolecular Forces in Association of Purines with Polybenzenoid Hydrocarbons

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Science  12 Mar 1965:
Vol. 147, Issue 3663, pp. 1305-1307
DOI: 10.1126/science.147.3663.1305


The interactions in solution between purine or pyrimidine bases and polybenzenoid aromatic hydrocarbons probably consist in a vertical, stacking-type physical association. By molecular orbital calculations the role of the Van der Waals-London intermolecular forces in these interactions is determined. The electrostatic dipole-dipole forces are negligible, the polarization (or induction) dipole-induced dipole forces are contributory, but most important are the dispersion (or fluctuation) forces. This loose, physical type of interaction should not show any specificity with respect to the carcinogenic activity of the hydrocarbons.