title: Spectroscopic and theoretical study of endohedral dimetallofullerene having a non-IPR fullerene cage: Ce2@C72.
abstract: The endohedral dimetallofullerene having a non-IPR fullerene cage, Ce2@C72, is spectroscopically and theoretically characterized. The (13)C NMR measurements display large temperature-dependent signals caused by paramagnetic shifts, indicating that the Ce atoms are located near the two fused pentagons in the C72 cage. Theoretical calculations are performed to clarify the metal position, which are in good agreement with the result obtained by the paramagnetic (13)C NMR analysis. Electrochemical measurements reveal that Ce2@C72 has particularly lower oxidation and higher reduction potentials than other endohedral dimetallofullerenes.
authors.affiliation: Center for Tsukuba Advanced Research Alliance, University of Tsukuba, Tsukuba, Ibaraki 305-8577, Japan.
authors.forename: Michio
authors.initials: M
authors.lastname: Yamada
authors.forename: Takatsugu
authors.initials: T
authors.lastname: Wakahara
authors.forename: Takahiro
authors.initials: T
authors.lastname: Tsuchiya
authors.forename: Yutaka
authors.initials: Y
authors.lastname: Maeda
authors.forename: Takeshi
authors.initials: T
authors.lastname: Akasaka
authors.forename: Naomi
authors.initials: N
authors.lastname: Mizorogi
authors.forename: Shigeru
authors.initials: S
authors.lastname: Nagase