The Crystalline Sponge Method: A Systematic Study of the Reproducibility of Simple Aromatic Molecule Encapsulation and Guest–Host Interactions

Abstract

A systematic study detailing the uptake of a series of chemically related simple functionalized aromatic guest molecules into the pores of the crystalline sponge [{(ZnI2)3(tris(4-pyridyl)-1,3,5-triazine)2·x(solvent)}n] has been performed. The reproducible positioning of the guest molecules within the unit cell has been documented. Analysis of guest–host and guest–guest interactions has shown the dominant role of π···π and CH···π interactions in the ability of the crystalline sponge to render the guest molecules regularly ordered. Further interactions specific to guest functionality, such as weak hydrogen bonds, are seen to contribute to the particular orientation of the guests.