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

We report the first X-ray single crystal structures of hypochlorite (ClO- ) and hypobromite (BrO- ) 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.