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  • Mechanistic study of the Diels-Alder reaction of paramagnetic endohedral metallofullerene: reaction of La@C82 with 1,2,3,4,5-pentamethylcyclopentadiene.

Mechanistic study of the Diels-Alder reaction of paramagnetic endohedral metallofullerene: reaction of La@C82 with 1,2,3,4,5-pentamethylcyclopentadiene.

Journal of the American Chemical Society (2013-03-23)
Satoru Sato, Yutaka Maeda, Jing-Dong Guo, Michio Yamada, Naomi Mizorogi, Shigeru Nagase, Takeshi Akasaka
ZUSAMMENFASSUNG

The reaction mechanism of the Diels-Alder reaction of paramagneticendohedral metallofullerene, La@C82, and 1,2,3,4,5-pentamethylcyclopentadiene was studied theoretically and experimentally. Theoretical calculations revealed that this reaction proceeds via a concerted mechanism that includes formation of a stable intermediate. The activation energy of a retro-Diels-Alder reaction was also studied experimentally, which is in good agreement with theoretical results.

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1,2,3,4,5-Pentamethyl-cyclopentadien, 95%
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