Quantum Chemical Characterization
of the Bonding of N-Heterocyclic Carbenes to Cp2MI Compounds
[M = Ce(III), U(III)]
Recent Research from Professor Christopher Cramer and his
research group, award (Award # (CHE-0610183)).
TThe identification of compounds
capable of discriminating between lanthanide and actinide ions is a subject
of considerable interest because of the potential utility of such ligands
in the reprocessing of spent nuclear materials. Multiconfigurational quantum
chemical characterization of U and Ce compounds coordinated with N-heterocyclic carbenes (NHCs) has
proven useful in identifying those ligand characteristics that most effectively
distinguish between the different f block elements (Gagliardi, L.; Cramer,
C. J. Inorg. Chem. 2006, 45, 9442).