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Structural Evidence for Polyinterhalides Based on Bromine Monochloride: Formation and Characterization of the First Non-Classical Octahedral Structure [Cl(BrCl)₆]⁻

Benjamin Schmidt, Karsten Sonnenberg, Helmut Beckers, Simon Steinhauer and Sebastian Riedel – 2018

Due to a more distinct σ‐hole, BrCl is able to form stronger halogen bonds than those in polyhalogen anions based on Cl₂ and Br₂. This stabilization allows the crystallographic characterization of a variety of new polyinterhalides, in which chloride functions as the central ion as shown by the molecular structures of [AsPh₄][Cl(BrCl)₃] and [CCl(NMe₂)₂][Cl(BrCl)₅]. Furthermore, the solid‐state structure of an octahedrally coordinated nonclassical interhalide is reported for the first time. The tridecainterhalide monoanion [Cl(BrCl)₆]⁻ consists of a central chloride ion, which is coordinated by six BrCl molecules in a slightly distorted octahedral structure. All new compounds were characterized by single‐crystal X‐ray diffraction (XRD), NMR and Raman spectroscopy, as well as quantum‐chemical calculations.

Titel
Structural Evidence for Polyinterhalides Based on Bromine Monochloride: Formation and Characterization of the First Non-Classical Octahedral Structure [Cl(BrCl)₆]⁻
Verfasser
Benjamin Schmidt, Karsten Sonnenberg, Helmut Beckers, Simon Steinhauer and Sebastian Riedel
Schlagwörter
Halogens • Interhalides • Quantum-chemical calculations • Halogen-bonding • X-ray structure
Datum
2018
Erschienen in
Angew. Chem. Int. Ed. 2018, 57, 9141-9145 (Angew. Chem. 2018, 130, 9279-9283)
Zitierweise
DOI: 10.1002/anie.201803705 (Int. Ed.); 10.1002/ange.201803705
Sprache
eng