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RESEARCH PRODUCT
The nature of interactions of benzene with CF3I and CF3CH2I
Norbert W. MitzelMaciej BujakMaciej BujakHans-georg StammlerSebastian Blomeyersubject
010405 organic chemistryChemistryIntermolecular forceMetals and AlloysGeneral Chemistry010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundChemical physicsHalogenMaterials ChemistryCeramics and CompositesMoleculeDispersion (chemistry)Benzenedescription
In situ grown crystals of CF3I and CF3CH2I are dominated by I⋯I and F⋯F interactions. Their co-crystals with benzene, (CF3I)2·C6H6 and CF3CH2I·C6H6, contain two completely different sets of intermolecular interactions. (CF3I)2·C6H6 shows a unique halogen-bond type: above-the-bond C–I⋯πC6H6 interactions. CF3CH2I·C6H6 shows above-the-centre C–H⋯πC6H6 interactions. These interactions are electrostatically dominated type II halogen bonds between single halogenoalkane molecules and weaker dispersion dominated interactions between the co-crystal components. The observed preferences for benzene for the two binding partners match with calculated molecular electrostatic potentials.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2019-01-01 | Chemical Communications |