A Comprehensive Theoretical View of the Bonding in Actinide Molecular Complexes
Journal of the American Chemical Society2006Vol. 128(7), pp. 2190–2191
Citations Over TimeTop 14% of 2006 papers
Abstract
While usual atomic population methods give a consistent view of trivalent lanthanide or a uranium-ligand bond, the description of the bonding of americium(III), which is a key element for nuclear fuel processes, is a challenge. Neither experimental data nor theoretical calculations have been able so far to evidence covalency effects in the americium-ligand bond. We show herein that the use of more sophisticated methods based on a topological approach (AIM and ELF) gives a consistent view of such an interaction for the first time, showing a weak covalent back-bonding interaction with the CO ligand.
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