Experimental Characterization and Theoretical Modelling of X-ray Absorption Spectra of Protactinium(V) Complexes
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International audience
Complexation of Protactinium(V) with Chlorides in aqueous solution: Thermodynamic and Structural Insights
Protactinium(V) is a singular actinide with unique chemical properties that differentiate it from other pentavalent actinides, particularly due to the absence of the actinyl moiety in its condensed phase compounds. Instead, Pa(V) exhibits a short mono-oxo bond, experimentally observed in oxalic and sulfuric media. However, this mono-oxo bond is not...
The Coordination Chemistry of U4+ in Aqueous Solutions: Challenges and Insights from Spectroscopy and Theory
The aqueous U4+ ion is a key species in the chemistry of uranium, with significant implications for nuclear fuel processing, environmental chemistry, and radiochemistry. Indeed, the safety assessment of a future repository, as well as the remediation of various uranium mining and milling legacies, requires a better understanding of cation interacti...
Out-of-equilibrium thermodynamics of autocatalytic networks
The purpose of this work is to clarify how the stoichiometric trait of autocatalytic networks, namely their absence of a conservation law, shapes their non-equilibrium behavior. To do so, we consider an autocatalytic network coupled with external species acting as food/waste materials, necessary to fulfill mass conservation. Then, we show that the ...
Ground and excited state properties of heavy (and not so heavy) element systems from relativistic (embedded) coupled clu...
International audience
Enantiopurity by directed evolution of crystallization behaviour and nonequilibrium conditions
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Ever since the first sorting of enantiomers by Louis Pasteur, crystallization has become a powerful method for isolating molecules of a desired handedness. Although in the past century many variations of this method have been developed, widespread use of chiral purification by crystallization is still hindered by one imperative: enantiomers need to...
Optimizing reaction and transport fluxes in temperature gradient-driven chemical reaction-diffusion systems
Temperature gradients represent energy sources that can be harvested to generate steady reaction or transport fluxes. Technological developments could lead to the transfer of free energy from heat sources and sinks to chemical systems for the purpose of extraction, thermal batteries, or nonequilibrium synthesis. We present a theoretical study of 1D...
Is the protactinium(V) mono-oxo bond weaker than what we thought?
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The bond distance is the simplest and most obvious indicator of the nature of a given chemical bond. However, for rare chemistry, it may happen that it is not yet firmly established. In this communication, we will show that the formally-triple protactinium(V) mono-oxo bond is predicted longer than what was previously reported in the solid state and...
Effective interactions in protein solutions with and without clustering
International audience
Unveiling the conformational diversity of succinic acid: Insights from IR spectroscopy and quantum chemical calculations...
Small α-dicarbonyl compounds like succinic acid are found abundantly in the atmosphere, thereby contributing to the formation of secondary organic aerosols through solid or liquid particles and gas-phase molecular clusters. The vibrational spectrum of succinic acid was measured in two different environments to evidence the role of the medium on the...
