title: Mechanistic study of the Diels-Alder reaction of paramagnetic endohedral metallofullerene: reaction of La@C82 with 1,2,3,4,5-pentamethylcyclopentadiene.
abstract: 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.
authors.affiliation: Life Science Center of Tsukuba Advanced Research Alliance, University of Tsukuba, Tsukuba, Ibaraki 305-8577, Japan.
authors.forename: Satoru
authors.initials: S
authors.lastname: Sato
authors.forename: Yutaka
authors.initials: Y
authors.lastname: Maeda
authors.forename: Jing-Dong
authors.initials: JD
authors.lastname: Guo
authors.forename: Michio
authors.initials: M
authors.lastname: Yamada
authors.forename: Naomi
authors.initials: N
authors.lastname: Mizorogi
authors.forename: Shigeru
authors.initials: S
authors.lastname: Nagase
authors.forename: Takeshi
authors.initials: T
authors.lastname: Akasaka