Abstract
In this paper we study the nature of U-C bonding in Cp3UL complexes based on the extended Hückel molecular orbital method. A remarkable range of observed U-C distances parallels the calculated overlap populations. Covalency in the U-C (alkyl) σ bond is strong, while the U-Cp π bond has a very weak covalent character, if any. On the other hand, covalency in the U-CHPR3 and U-CCR bonds is enhanced, as measured by overlap population, due to additional π interactions indicating the presence of partial U-C multiple bond character. An analysis is also presented of the similarities and differences in the σ and π bonding capabilities of the organic ligands to U and a typical d transition metal, Fe.
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© 1986 D. Reidel Publishing Company, Dordrecht, Holland
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Tatsumi, K., Nakamura, A. (1986). On the Uranium-To-Carbon Bonds in Cp3UL Complexes. In: Smith, V.H., Schaefer, H.F., Morokuma, K. (eds) Applied Quantum Chemistry. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-4746-7_19
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DOI: https://doi.org/10.1007/978-94-009-4746-7_19
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