Synthesis and Characterization of Two Uranyl-Aryl "Ate" Complexes.

Reaction of [UO Cl (THF) ] with 3 equivalents of LiC Cl in Et O resulted in the formation of first uranyl aryl complex [Li(Et O) (THF)][UO (C Cl ) ] ([Li][1]) in good yields. Subsequent dissolution of [Li][1] in THF resulted in conversion into [Li(THF) ][UO (C Cl ) (THF)] ([Li][2]), also in good yields. DFT calculations reveal that the U-C bonds in [Li][1] and [Li][2] exhibit appreciable covalency. Additionally, the C NMR chemical shifts for their C environments are strongly affected by spin-orbit coupling-a consequence of 5f orbital participation in the U-C bonds.