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Stability of uranium complexes: Theoretical prediction verified



For the downstream nuclear cycle, it is essential to control the chemical and environmental stability of compounds such as uranyl. UO2+, where uranium is in oxidation state 5, is particularly unstable.

Published on 16 February 2009
We have just shown by calculation that a new ligand allows to stabilize it more strongly than what was known until then. The synthesis of the corresponding complex confirmed the theoretical predictions. The calculations first allowed us to understand the stability of the known experimental systems and then to suggest that the U-ligand interaction should be reinforced by the presence of an acceptor directly on the ligand.

The most stable complex obtained by calculation.

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