6533b830fe1ef96bd1297194
RESEARCH PRODUCT
Halogen bonds with coordinative nature: halogen bonding in a S–I+–S iodonium complex†
Matti HaukkaLaura KoskinenKari RissanenSirpa JääskeläinenElina KaleniusPipsa Hirvasubject
Halogen bondChemistryInorganic chemistryhalogen bondschemistry.chemical_elementCharge densityGeneral ChemistryNuclear magnetic resonance spectroscopyInteraction energyCondensed Matter PhysicsMass spectrometrySulfurIonCrystallographyHalogenGeneral Materials Scienceta116description
A detailed study of unexpectedly strong iodonium–sulfur halogen bonds in [I(2-imidazolidinethione)2]+ is presented. The interactions are characterized by single-crystal X-ray diffraction, charge density analysis based on QTAIM calculations, mass spectrometry, and NMR spectroscopy. The results, small RIS = 0.7 and high interaction energy of −60 kJ mol−1, support a coordinative nature of the halogen bond between the iodonium ion and the sp2 hybridized sulfur atoms.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2015-01-01 | CrystEngComm |