Examining the Electronic Structures of Monouranium Endohedral Metallofullerenes: Solution Versus Solid-State Effects in U@C82

27 September 2023, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


In uranium endohedral metallofullerenes, cage isomer dependent oxidation states have been theoretically deter-mined for U3+@C2v(9)-C823- and U4+@C2(5)-C824+. Solution phase EPR supports this assessment; however, in the solid-state, EPR, SQUID magnetometry, and XANES suggest both isomers adopt a common metal-oxidation state. This inves-tigation shows the redox active uranium center may be sensitive to changes at the carbon cage, demonstrating that solution versus solid-state factors is a possible consideration when determining the electronic structure and reactivity of these unique systems.


endohedral metallofullerene
cage isomer

Supplementary materials

Supporting Information File
Supporting Information


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