Influence of the Molecular Surface Characteristics of the Diastereoisomers of a Quartet Molecule on their Physicochemical Properties: A Linear Solvation Free-Energy Study

Abstract

The difference in ability of a quartet molecule to interact with the neighboring solvent molecules is influenced by the molecular surface characteristics of the two diastereomers of the molecule. Therefore, molecular parameters like the surface area and the fractal dimension (see figure) control some of their physicochemical properties, such as their differential chromatographic retention of these two diastereomers, their isomerization equilibrium, and tumbling processes in solid or viscous amorphous matrices.