After 200 Years: The Structure of Bleach and Characterization of Hypohalite Ions by Single‐Crystal X‐Ray Diffraction**

Abstract

We report the first X-ray single crystal structures of hypochlorite (ClO À ) and hypobromite (BrO À ) salts, including hydrated sodium hypochlorite, a staple of the chlorine industry and ubiquitous bleaching and disinfection agent for almost 200 years. The structures, supported by variable-temperature Raman spectroscopy on individual crystals and periodic density-functional theory (DFT) calculations, provide insight into solid-state geometry and supramolecular chemistry of hypohalite ions.

Investigation of Bis(Perfluoro‐tert‐Butoxy) Halogenates(I/III)

“…Comparing the oxygen halogen bond lengths with the very recently determined bond lengths from the crystal structures of [ClO] − (168.6(1) pm) and [BrO] − (182.0(3) pm) it becomes obvious that the bonding in the [X(OC 4 F 9 ) 2 ] − anions is significantly weaker than the bonding in the hypohalite anions [XO] − . [18] In case of 2 , a related structure is known, [NO 2 ][Br(ONO 2 ) 2 ]. [17] Its Br−O bond lengths are well comparable (205.1(1) pm) and the O−Br−O angle is 180°, indicating a similar bonding situation.…”