Supramolecular networks by imine halogen bonding

Halogen bonding of neutral donors using imine groups of porous organic cage compounds as acceptors leads to the formation of halogen-bonded frameworks. We report the use of two different imine cages, in combination with three electron-poor halogen bond donors. Four resulting solid-state structures elucidated by single-crystal X-ray analysis are presented and analysed for the first time by plane-wave DFT calculations and QTAIM-analyses of the entire unit cells, demonstrating the formation of halogen bonds within the networks. The supramolecular frameworks can be obtained either from solution or mechanochemically by liquid-assisted grinding.

Automated summary

In this study, halogen-bonded frameworks were formed by using imine groups of porous organic cage compounds as acceptors for neutral donors. The formation of halogen bonds within the networks was confirmed by experimental results and analyzed using computational methods. The supramolecular frameworks could be obtained from solution or by liquid-assisted grinding.