• DOI:10.1002/anie.202108843
• Corpus ID: 236199263

After 200 years: the structure of bleach and characterization of hypohalite ions by single-crystal X-ray diffraction.

@article{Topi2021After2Y,
  title={After 200 years: the structure of bleach and characterization of hypohalite ions by single-crystal X-ray diffraction.},
  author={Filip Topi{\'c} and Joseph M. Marrett and Tristan H. Borchers and Hatem M. Titi and Christopher J. Barrett and Tomislav Fri{\vs}{\vc}i{\'c}},
  journal={Angewandte Chemie},
  year={2021}
}

• F. Topić, J. Marrett, +3 authors T. Friščić
• Published 22 July 2021
• Materials Science, Chemistry
• Angewandte Chemie

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.