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Beilstein J. Org. Chem. 2024, 20, 92–100, doi:10.3762/bjoc.20.10
Graphical Abstract
Scheme 1: Proposed radical cation mechanism for the dimerization of two C60 cages inside a metallic carbon na...
Figure 1: DFT-optimized structures of C60 dimers 1-D2h, 1-Cs and nanotubular C120-NT-D5d fullerene.
Figure 2: Energy profiles for the dimerization of 2 C60 and C60 + C60•+ fullerenes in the gas phase. All ener...
Figure 3: Energy profiles for the dimerization of 2 C60 (neutral) and C60 + C60•+ (radical cation) fullerenes...
Figure 4: Proposed sequence of C60 dimers up to the formation of dimer HPR-Cs•+.