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

Filip Topić; Joseph M. Marrett; Tristan H. Borchers; Hatem M. Titi; Christopher J. Barrett; Tomislav Friščić

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
, Joseph M. Marrett
, Tristan H. Borchers
, Hatem M. Titi
, Christopher J. Barrett
, Tomislav Friščić^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	24400-24405
Number of pages	6
Journal	Angewandte Chemie - International Edition
Volume	60
Issue number	46
Early online date	22 Jul 2021
DOIs	https://doi.org/10.1002/anie.202108843
Publication status	Published - 8 Nov 2021

Bibliographical note

Publisher Copyright:
© 2021 Wiley-VCH GmbH

Keywords

bleach
halogens
hypobromite
hypochlorite
X-ray crystallography

ASJC Scopus subject areas

Catalysis
General Chemistry

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10.1002/anie.202108843

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title = "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−) 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.",

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doi = "10.1002/anie.202108843",

language = "English",

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T2 - The Structure of Bleach and Characterization of Hypohalite Ions by Single-Crystal X-Ray Diffraction**

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AU - Borchers, Tristan H.

AU - Titi, Hatem M.

AU - Barrett, Christopher J.

AU - Friščić, Tomislav

PY - 2021/11/8

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N2 - 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.

AB - 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.

KW - bleach

KW - halogens

KW - hypobromite

KW - hypochlorite

KW - X-ray crystallography

UR - https://www.scopus.com/pages/publications/85113171734

U2 - 10.1002/anie.202108843

DO - 10.1002/anie.202108843

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AN - SCOPUS:85113171734

SN - 1433-7851

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EP - 24405

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 46

ER -

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

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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