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Spectroscopic and theoretical study of endohedral dimetallofullerene having a non-IPR fullerene cage: Ce2@C72
Authors:Yamada Michio  Wakahara Takatsugu  Tsuchiya Takahiro  Maeda Yutaka  Akasaka Takeshi  Mizorogi Naomi  Nagase Shigeru
Affiliation:Center for Tsukuba Advanced Research Alliance, University of Tsukuba, Tsukuba, Ibaraki 305-8577, Japan.
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.
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