Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks
Tero, T.-R., Salorinne, K., Malola, S., Häkkinen, H., & Nissinen, M. (2015). Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks. CrystEngComm, 17 (43), 8231-8241. doi:10.1039/C5CE01144B
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© The Royal Society of Chemistry 2015. This is a final draft version of an article whose final and definitive form has been published by RSC. Published in this repository with the kind permission of the publisher.
Tetrapyridine functionalized resorcinarene macrocycles were used as multivalent building blocks for the construction of
halogen bonded networks with aryl halide linkers. In the solid state, resorcinarene macrocycles and aryl halide linker
molecules assembled into interpenetrated, multidimensional halogen bonded networks with porous structure caused by
the 3D block scaffold of the resorcinarenes. 19F NMR spectroscopy proved halogen bond formation also in solution, as
either upfield or downfield shifts were observed depending on the bivalent or monovalent halogen bond binding mode.
The binding mode in solution was explained by density functional theory computations.