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• W4387403410 abstract "A difference in encaged non-metallic element (i.e., C2versus O) leads to a clear change of intramolecular interactions and shifts in redox potentials of Lu2C2@C2(13333)-C74 and Lu2O@C2(13333)-C74, as a result of their distinct molecular orbital energy levels. Different from these two endoherals whose HOMOs are located on the cage, experimentally absent Lu2@C2(13333)-C74 possesses a HOMO predominantly delocalized on the internal Lu-Lu bond, accompanied by a much smaller HOMO-LUMO gap, suggesting that the presence of a non-metallic unit broadens the electrochemical gaps and consequently improves the kinetic stability. These findings shed light on the role of non-metallic moieties in clusterfullerenes, providing valuable insights into the stability and properties of metallofullerenes." @default.
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• W4387403410 date "2023-01-01" @default.
• W4387403410 modified "2023-10-15" @default.
• W4387403410 title "Stabilizing non-IPR C2(13333)-C74 cage with Lu2C2/Lu2O: the importance of encaged non-metallic elements" @default.
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• W4387403410 doi "https://doi.org/10.1039/d3cc04668k" @default.
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