THE SEARCH FOR A DOUBLE-STUFFED URANIUM METALLOCENE
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Date
2008
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Ohio State University
Abstract
The discovery of \chem{Zn(I)_2}($\eta^{5}$-\chem{C_5}\chem{Me_5}$)^{2}$ has fundamentally changed the definition of metallocene by introducing dimetallic units to the middle of the classic sandwich complex. Since actinide metallocenes employing COT (COT = [\chem{C_8}\chem{H_8}$]^{2-}$) rings are well known, it occurred to us that uranium dimers may be stabilized by this new bonding motif. Scalar-relativistic density functional theory calculations have been employed to investigate the isomers of [U(\emph{n}$)_{2}$\chem{(COT)_2}$]^{2\emph{n}-4}$ complexes where \emph{n} = 2 or 3. The IR and NMR vibrational signatures of these complexes is presented to facilitate experimental detection.
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Author Institution: Department of Chemistry, Wayne State University, Detroit, MI-48202