Stability of Guest-Incorporated 2D Molecular Networks

Molecular self-assembly, taking advantage of reversible intermolecular interactions, represents an efficient method to prepare ultrathin films exhibiting minimal packing defects. The same protocol seems reasonable to fabricate hybrid monolayers yet typically results in segregated domains. Demonstrated herein is a host–guest concept in which guest molecules are hosted in homogeneously patterned voids at the liquid–solid interface. However, 2D open lattices with low packing densities often suffer poor stability. In this study, the concept is realized by a 2D porous network assembled via 1,3,5-tris­(4-carboxy­phenyl)­benzene (BTB) whose stability is significantly enhanced by hosting spatially matched pentacene or its analogues. The conformal contact between the nearest neighbors optimizes intermolecular interactions. Simulation results of molecular mechanics for a simplified model suggest that the hybrid lattice is about 250 kcal/mol per BTB pore more stable than guests such as coronene and Cu-phthalocyanine