Triangle Scandium Cluster Imprisoned in a Fullerene Cage

Masaki Takata; Eiji Nishibori; Makoto Sakata; Masayasu Inakuma; Etsuji Yamamoto; Hisanori Shinohara

doi:10.1103/PhysRevLett.83.2214

Triangle Scandium Cluster Imprisoned in a Fullerene Cage

Masaki Takata, Eiji Nishibori, Makoto Sakata, Masayasu Inakuma, Etsuji Yamamoto, and Hisanori Shinohara

Phys. Rev. Lett. 83, 2214 – Published 13 September 1999

Abstract

The endohedral structure of tri-metallofullerene ${Sc}_{3} @ C_{82}$ is determined by the maximum entropy method (MEM) combined with the Rietveld method using synchrotron radiation powder data. The result reveals for the first time that Sc atoms are encapsulated in the form of a triangle Sc cluster inside the $C_{3 V} - C_{82}$ fullerene. The charge state of the encaged trimer is also determined as ${Sc}_{3}^{3 +} @ C_{82}^{3 -}$ from the MEM charge density. The Sc-Sc distance in the equilateral triangular ${Sc}_{3}$ cluster is 2.3(3) Å

Received 4 February 1999

DOI:https://doi.org/10.1103/PhysRevLett.83.2214

Authors & Affiliations

Masaki Takata^*

Department of Material Science, Shimane University, Matsue 690-8504, Japan

Eiji Nishibori and Makoto Sakata

Department of Applied Physics, Nagoya University, Nagoya 464-8603, Japan

Masayasu Inakuma, Etsuji Yamamoto, and Hisanori Shinohara

Department of Chemistry, Nagoya University, Nagoya 464-8602, Japan

^*Present address: Department of Applied Physics, Nagoya University, Nagoya 464-8603, Japan.To whom all correspondence and requests for materials should be addressed.Email address: takata@nuap.nagoya-u.ac.jp a41024a@nucc.cc.nagoya-u.ac.jp