A DFT investigation of the blue bottle experiment: E∘half-cell analysis of autoxidation catalysed by redox indicators

The blue bottle experiment is a collective term for autoxidation reactions catalysed by redox indicators. The reactions are characterized by their repeatable cycle of colour changes when shaken/left to stand and intricate chemical pattern formation. The blue bottle experiment is studied based on cal...

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Main Authors:	Taweetham Limpanuparb, Pakpong Roongruangsree, Cherprang Areekul
Format:	Article
Language:	English
Published:	The Royal Society 2017-01-01
Series:	Royal Society Open Science
Subjects:	blue bottle experiment reduction potential density functional theory chemical pattern formation reaction mechanism
Online Access:	https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.170708

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spelling	doaj-cd71174d5ef94a9eb6aa6d5cf67051692020-11-25T03:41:24ZengThe Royal SocietyRoyal Society Open Science2054-57032017-01-0141110.1098/rsos.170708170708A DFT investigation of the blue bottle experiment: E∘half-cell analysis of autoxidation catalysed by redox indicatorsTaweetham LimpanuparbPakpong RoongruangsreeCherprang AreekulThe blue bottle experiment is a collective term for autoxidation reactions catalysed by redox indicators. The reactions are characterized by their repeatable cycle of colour changes when shaken/left to stand and intricate chemical pattern formation. The blue bottle experiment is studied based on calculated solution-phase half-cell reduction potential of related reactions. Our investigation confirms that the reaction in various versions of the blue bottle experiment published to date is mainly the oxidation of an acyloin to a 1,2-dicarbonyl structure. In the light of the calculations, we also propose new non-acyloin reducing agents for the experiment. These results can help guide future experimental studies on the blue bottle experiment.https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.170708blue bottle experimentreduction potentialdensity functional theorychemical pattern formationreaction mechanism
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Taweetham Limpanuparb Pakpong Roongruangsree Cherprang Areekul
spellingShingle	Taweetham Limpanuparb Pakpong Roongruangsree Cherprang Areekul A DFT investigation of the blue bottle experiment: E∘half-cell analysis of autoxidation catalysed by redox indicators Royal Society Open Science blue bottle experiment reduction potential density functional theory chemical pattern formation reaction mechanism
author_facet	Taweetham Limpanuparb Pakpong Roongruangsree Cherprang Areekul
author_sort	Taweetham Limpanuparb
title	A DFT investigation of the blue bottle experiment: E∘half-cell analysis of autoxidation catalysed by redox indicators
title_short	A DFT investigation of the blue bottle experiment: E∘half-cell analysis of autoxidation catalysed by redox indicators
title_full	A DFT investigation of the blue bottle experiment: E∘half-cell analysis of autoxidation catalysed by redox indicators
title_fullStr	A DFT investigation of the blue bottle experiment: E∘half-cell analysis of autoxidation catalysed by redox indicators
title_full_unstemmed	A DFT investigation of the blue bottle experiment: E∘half-cell analysis of autoxidation catalysed by redox indicators
title_sort	dft investigation of the blue bottle experiment: e∘half-cell analysis of autoxidation catalysed by redox indicators
publisher	The Royal Society
series	Royal Society Open Science
issn	2054-5703
publishDate	2017-01-01
description	The blue bottle experiment is a collective term for autoxidation reactions catalysed by redox indicators. The reactions are characterized by their repeatable cycle of colour changes when shaken/left to stand and intricate chemical pattern formation. The blue bottle experiment is studied based on calculated solution-phase half-cell reduction potential of related reactions. Our investigation confirms that the reaction in various versions of the blue bottle experiment published to date is mainly the oxidation of an acyloin to a 1,2-dicarbonyl structure. In the light of the calculations, we also propose new non-acyloin reducing agents for the experiment. These results can help guide future experimental studies on the blue bottle experiment.
topic	blue bottle experiment reduction potential density functional theory chemical pattern formation reaction mechanism
url	https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.170708
work_keys_str_mv	AT taweethamlimpanuparb adftinvestigationofthebluebottleexperimentehalfcellanalysisofautoxidationcatalysedbyredoxindicators AT pakpongroongruangsree adftinvestigationofthebluebottleexperimentehalfcellanalysisofautoxidationcatalysedbyredoxindicators AT cherprangareekul adftinvestigationofthebluebottleexperimentehalfcellanalysisofautoxidationcatalysedbyredoxindicators AT taweethamlimpanuparb dftinvestigationofthebluebottleexperimentehalfcellanalysisofautoxidationcatalysedbyredoxindicators AT pakpongroongruangsree dftinvestigationofthebluebottleexperimentehalfcellanalysisofautoxidationcatalysedbyredoxindicators AT cherprangareekul dftinvestigationofthebluebottleexperimentehalfcellanalysisofautoxidationcatalysedbyredoxindicators
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A DFT investigation of the blue bottle experiment: E∘half-cell analysis of autoxidation catalysed by redox indicators

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