6533b829fe1ef96bd128983e
RESEARCH PRODUCT
Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks
Hannu HäkkinenSami MalolaTiia-riikka TeroMaija NissinenKirsi Salorinnesubject
chemistry.chemical_classificationHalogen bondta114ChemistryStereochemistryAryl halideSolid-stateGeneral ChemistryResorcinareneCondensed Matter PhysicsCrystallographyhalogen bonded networksHalogenMoleculeGeneral Materials ScienceDensity functional theoryta116Linkerresorcinarene macrocyclesaryl halide linkersdescription
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. peerReviewed
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2015-01-01 |