Journal of Physical Chemistry, Vol.99, No.32, 12081-12083, 1995
Representation of C-60 Solubilities in Terms of Computed Molecular-Surface Electrostatic Potentials and Areas
We show that the solubilities of C-60 in a variety of organic solvents can be represented analytically in terms of surface areas and statistically based quantities obtained from the electrostatic potentials calculated on the solvent molecular surfaces. This relationship, plus the surface potential computed for C-60 itself, confirms that solubility is promoted by large solvent molecules and by moderately attractive interactions that are relatively balanced between positive and negative regions on the solute and solvent molecular surfaces.
Keywords:FULLERENES;SOLVENTS