Effect of Crystal Packing on the Electronic Properties of Molecular Crystals
Molecular crystals have applications in nonlinear optics, organic electronics, and particularly in pharmaceuticals, as most drugs are marketed in the form of crystals of the pharmaceutically active ingredient. Molecular crystals are bound by dispersion (van der Waals) interactions, whose weak nature generates potential energy landscapes with many shallow minima that are close in energy. As a result, molecular crystals often exhibit polymorphism, the ability of the same molecule to crystallize in several structures. Crystal structure may profoundly influence the...