After 200 Years: The Structure of Bleach and Characterization of Hypohalite Ions by Single-Crystal X-Ray Diffraction* - PubMed (original) (raw)

. 2021 Nov 8;60(46):24400-24405.

doi: 10.1002/anie.202108843. Epub 2021 Aug 20.

Affiliations

• PMID: 34293249
• DOI: 10.1002/anie.202108843

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

Filip Topić et al. Angew Chem Int Ed Engl. 2021.

Abstract

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.

Keywords: X-ray crystallography; bleach; halogens; hypobromite; hypochlorite.

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References

1. 1. L. Pauling, General Chemistry, Dover Publications, New York, 1988.
2. 1. “Chlorine, Bromine, Iodine & Astatine: Inorganic Chemistry”: J.-P. Liang in Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley, Online, 2011.
3. 1. R. B. King, Inorganic Chemistry of Main Group Elements, Wiley-VCH, Weinheim, 1994.
4. 1. C. L. Berthollet, Ann. Chim. (Cachan Fr.) 1789, 2, 151-190.
5. 1. P. Dorveaux, Rev. Hist. Pharm. 1929, 63, 286-287.

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