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• W1997093980 abstract "C78 is one of the most widely investigated higher fullerenes. Among its huge isomer family, only one non-IPR (IPR = isolated pentagon ring) cage, the C2-symmetric #22010C78, was previously stabilized by endohedral derivatization. Here we report a new C1-symmetric non-IPR hollow isomer, #23863C78, which was captured as #23863C78Cl8 and then subjected to a regioselective substitution reaction with benzyl hydroperoxide to form #23863C78(OOCH2C6H5)Cl7. The structural connectivity of #23863C78, which contains a pair of fused pentagons, was confirmed by single-crystal X-ray diffraction analysis of the #23863C78(OOCH2C6H5)Cl7 molecule, which shares the same fullerene core with #23863C78Cl8; support for the structure is provided by comparable IR measurements and computation. Theoretical studies suggest that the differences in C−Cl bond length, intermediate stability, and steric effects of the involved molecules account for the chemical regioselectivity of the substitution reaction." @default.
• W1997093980 created "2016-06-24" @default.
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• W1997093980 date "2010-08-19" @default.
• W1997093980 modified "2023-10-16" @default.
• W1997093980 title "Pentagon-Fused Hollow Fullerene in C₇₈ Family Retrieved by Chlorination" @default.
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• W1997093980 doi "https://doi.org/10.1021/ja102887t" @default.
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• W1997093980 hasPublicationYear "2010" @default.
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