Anion⋯anion interaction within Ch(CH<sub>3</sub>)X<sub>4</sub><sup>−</sup>(Ch = S, Se, Te; X = Cl, Br, I) dimers stabilized by chalcogen bonds
Rafał Wysokiński
Abstract
, where Ch represents an atom of group 16 (S, Se, and Te) while X = Cl, Br, and I. In these model systems, the aromatic ring was replaced by a methyl group and the counterions were not included. The consequence of this is a different noncovalent bond network in comparison to the system in a solid (the absence of intermolecular HBs and the presence of dihalogen bonds). The tendency for more exoenergetic complexation increases in the Cl < Br < I series. The chalcogen size effect is much smaller. However, critical to the stability of this system is overcoming the Coulomb repulsion between the two monoanions. This is possible because of the polarizable environment that exists in the crystal due to the presence of counter ions.
Topics & Concepts
ChalcogenCrystallographyChemistryCounterionIntermolecular forceIonPolarizabilityNon-covalent interactionsCrystal structureNatural bond orbitalAtom (system on chip)van der Waals forceDensity functional theoryHydrogen bondComputational chemistryMoleculeOrganic chemistryEmbedded systemComputer scienceCrystallography and molecular interactionsSolid-state spectroscopy and crystallographyCrystal structures of chemical compounds