Understanding the Extraction Mechanism in Ionic Liquids: UO2 2+/HNO3/TBP/C4-mimTf2N as a Case Study
Abstract The extraction of U(VI) by tributylphosphate in the ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide), C4-mimTf2N, has been studied as a function of TBP and HNO3…
Investigation of astatine(III) hydrolyzed species: experiments and relativistic calculations.
The hydrolysis thermodynamic constant, extrapolated to zero ionic strength, was determined to be 10(-1.9) and supported by two-component relativistic quantum calculations and therefore allows disclosing unambiguously the structure of the formed species.
ANALYSIS OF DYAD-DYAD TRANSITIONS OF 12CH4 AND 13CH4
Des observations recentes de transitions diade-diade ont ete introduites, en plus de transitions «purement rotationnelles» et de transitions infrarouges, dans un ajustement simultane des parametres…
A route for polonium 210 production from alpha-particle irradiated bismuth-209 target
Abstract A method is proposed for production of polonium-210 via the 209Bi(α, 3n)210At nuclear reaction. Bombardment of a bismuth-209 target was performed with a 37 MeV alpha-particle beam that leads…
Astatine standard redox potentials and speciation in acidic medium.
A combined experimental and theoretical approach is used to define astatine (At) speciation in acidic aqueous solution and to answer the two main questions raised from literature data: does At(0)…
Experimental and computational evidence of halogen bonds involving astatine
Astatine has been shown to form stronger halogen bonds than I2—meaning that astatine conforms to the trend, and behaves as a halogen-bond donor—a stronger one than iodine—owing to its much more electrophilic σ-hole.
Advances on the Determination of the Astatine Pourbaix Diagram: Predomination of AtO(OH)2 (-) over At(-) in Basic Conditions.
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, which is of interest for the development of (211) At radiolabeling protocols.
Assessment of an effective quasirelativistic methodology designed to study astatine chemistry in aqueous solution.
- J. Champion, M. Seydou, A. Sabatié-Gogova, É. Renault, G. Montavon, N. Galland
- ChemistryPhysical Chemistry, Chemical Physics - PCCP
- 7 September 2011
Theoretical investigations show that the reactivity of cationic species of astatine is highly sensitive to spin-orbit coupling and solvent effects, and the presented computational methodology appears to be the only tool to gain an insight intoAstatine chemistry at a molecular level.
Determination of stability constants between complexing agents and At(I) and At(III) species present at ultra-trace concentrations
Questioning the Affinity of Electrophilic Astatine for Sulfur-containing Compounds: Unexpected Bindings Revealed.
The quantum mechanical calculations definitively ruled out any rationale based on either the metallic character of astatine or its guessed softness; the favored interactions all involve specifically the oxygen atom of AtO+, leading to the formation of covalent O-S or O-C single bonds.