Issue 3, 2023

Highly oxidized U(vi) within the smallest fullerene: gas-phase synthesis and computational study of boron-doped U@C27B

Abstract

The smallest borafullerene U@C27B has been synthesized using a laser vaporization cluster source and detected as the most abundant species in the U@C2n−1B family. Density functional theory (DFT) calculations show that the U atom is placed just at the center of the cage interacting almost in the same way with all its atoms as if the cage were a 28-hapto ligand. Besides, the spin density is not at the metal, but distributed over the cage indicating that U is formally U(VI), even though it is not bonded to very electronegative atoms like O, F, N or Cl. All in all, we have synthesized a rather exotic radical that is another example of the distinctive host–guest chemistry that appears in endohedral metallofullerenes.

Graphical abstract: Highly oxidized U(vi) within the smallest fullerene: gas-phase synthesis and computational study of boron-doped U@C27B

Supplementary files

Article information

Article type
Research Article
Submitted
07 Okt. 2022
Accepted
07 Dec. 2022
First published
07 Dec. 2022

Inorg. Chem. Front., 2023,10, 908-914

Highly oxidized U(VI) within the smallest fullerene: gas-phase synthesis and computational study of boron-doped U@C27B

A. Moreno-Vicente, M. Alías-Rodríguez, P. W. Dunk, C. de Graaf, J. M. Poblet and A. Rodríguez-Fortea, Inorg. Chem. Front., 2023, 10, 908 DOI: 10.1039/D2QI02160A

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