High-resolution analysis of (Sc3C2)@ C80 metallofullerene by third generation synchrotron radiation X-ray powder diffraction

Eiji Nishibori; Ikuya Terauchi; Makoto Sakata; Masaki Takata; Yasuhiro Ito; Toshiki Sugai; Hisanori Shinohara

doi:10.1021/jp061740i

High-resolution analysis of (Sc3C2)@ C80 metallofullerene by third generation synchrotron radiation X-ray powder diffraction

J Phys Chem B. 2006 Oct 5;110(39):19215-9. doi: 10.1021/jp061740i.

Authors

Eiji Nishibori¹, Ikuya Terauchi, Makoto Sakata, Masaki Takata, Yasuhiro Ito, Toshiki Sugai, Hisanori Shinohara

Affiliation

¹ Department of Applied Physics, Nagoya University, Nagoya 464-8603, Japan. o47271a@cc.nagoya-u.ac.jp

PMID: 17004771
DOI: 10.1021/jp061740i

Abstract

The X-ray structure of Sc(3)C(82) is redetermined by the MEM/Rietveld method by using synchrotron radiation powder data at SPring-8, where the C(2) encapsulated structure available to discuss the Sc-Sc interatomic distances has been determined. The encapsulated three scandium atoms form a triangle shape. A spherical charge distribution originating from the C(2) molecule is located at the center of the triangle. Interatomic distances between Sc and Sc are 3.61(3) A in the triangle. The distance between Sc and the center of the C(2) molecule is 2.07(1) A.