Advances on the Determination of the Astatine Pourbaix Diagram: Predomination of AtO(OH)2 (-) over At(-) in Basic Conditions - PubMed (original) (raw)
. 2016 Feb 24;22(9):2964-71.
doi: 10.1002/chem.201504403. Epub 2016 Jan 15.
David Teze 1 2, Andréa Sabatié-Gogova 1, Cyrille Alliot 3, Ning Guo 1, Fadel Bassal 2, Isidro Da Silva 4, David Deniaud 2, Rémi Maurice 1, Julie Champion 1, Nicolas Galland 5, Gilles Montavon 6
Affiliations
- PMID: 26773333
- DOI: 10.1002/chem.201504403
Advances on the Determination of the Astatine Pourbaix Diagram: Predomination of AtO(OH)2 (-) over At(-) in Basic Conditions
Dumitru-Claudiu Sergentu et al. Chemistry. 2016.
Abstract
It is generally assumed that astatide (At(-) ) is the predominant astatine species in basic aqueous media. This assumption is questioned in non-complexing and non-reductive aqueous solutions by means of high-pressure anion-exchange chromatography. Contrary to what is usually believed, astatide is found to be a minor species at pH=11. A different species, which also bears a single negative charge, becomes predominant when the pH is increased beyond 7. Using competition experiments, an equilibrium constant value of 10(-6.9) has been determined for the formation of this species from AtO(OH) with the exchange of one proton. The identification of this species, AtO(OH)2 (-) , is achieved through relativistic quantum mechanical calculations, which rule out the significant formation of the AtO2 (-) species, while leading to a hydrolysis constant of AtO(OH) in excellent agreement with experiment when the AtO(OH)2 (-) species is considered. Beyond the completion of the Pourbaix diagram of astatine, this new information is of interest for the development of (211) At radiolabeling protocols.
Keywords: Pourbaix diagrams; astatine; competition experiments; hydrolysis constants; quantum mechanical calculations.
© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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