Novel heterobimetallic complexes featuring a uranium atom paired with a first-row transition metal have been computationally predicted and analyzed using density functional theory and multireference wave function based methods. The synthetically inspired metalloligands U{(PrPCHNAr)tacn} () and U(PrPCHNPh) () are explored in this study. We report the presence of multiple bonds between uranium and chromium, uranium and manganese, and uranium and iron. The calculations predict a 5-fold bonding between uranium and manganese in the UMn(PrPCHNPh) complex, which is unprecedented in the literature.
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| http://dx.doi.org/10.1021/acs.inorgchem.9b01264 | DOI Listing |
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