The photochemical and photophysical properties of the three C121 isomers (I, II, III) were investigated with MADLI-TOF-MS, UV-vis spectra, fluorescence spectra, absorption spectra of their DMA complexes, and theoretical calculations. The three isomers of C121 (I, II, III) have different stabilities under laser irradiation, but isomer I and isomer II show good stability against the heat-induced conversion between different isomers: No conversion between the isomers was found after heating the mixture of isomer I and isomer II at 353 K for 12 h in Ar atmosphere. The results of UV-vis absorption and fluorescence spectra indicate that interactions between two C60 moieties of C60=C=C60 in the ground and singlet states are not significant, C121 (I, II, III) behaves as an electron-acceptor similar to C60. These indicate that the formation of the fullerene chain structure (e.g., C60=C=C60) does not disturb the photochemical and photophysical properties of the C60 monomer itself, even that the properties were enhanced by the formation of the polymer. This is significant for the C60 polymer in photochemical or photoelectronic applications in which C60=C=C60 can be an excellent basic unit of polymers.

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