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- W2426490911 abstract "Abstract Although the major isomers of M@C 82 (namely M@ C 2 v (9)‐C 82 , where M is a trivalent rare‐earth metal) have been intensively investigated, the lability of the minor isomers has meant that they have been little studied. Herein, the first isolation and crystallographic characterization of the minor Y@C 82 isomer, unambiguously assigned as Y@ C s (6)‐C 82 by cocrystallization with Ni(octaethylporphyrin), is reported. Unexpectedly, a regioselective dimerization is observed in the crystalline state of Y@ C s (6)‐C 82 . In sharp contrast, no dimerization occurs for the major isomer Y@ C 2 v (9)‐C 82 under the same conditions, indicating a cage‐symmetry‐induced dimerization process. Further experimental and theoretical results disclose that the regioselective dimer formation is a consequence of the localization of high spin density on a special cage‐carbon atom of Y@ C s (6)‐C 82 which is caused by the steady displacement of the Y atom inside the C s (6)‐C 82 cage." @default.
- W2426490911 created "2016-06-24" @default.
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- W2426490911 date "2016-06-15" @default.
- W2426490911 modified "2023-10-14" @default.
- W2426490911 title "Isolation and Crystallographic Characterization of the Labile Isomer of Y@C <sub>82</sub> Cocrystallized with Ni(OEP): Unprecedented Dimerization of Pristine Metallofullerenes" @default.
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- W2426490911 doi "https://doi.org/10.1002/anie.201604121" @default.
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