Metal cluster encapsulated in a fullerene cage

摘要

The endohedral structure of tri-metallofullerene Sc_3C_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_3v-C_82 fullerene. The charge state of the encaged trimer is also determined as S_c3~3+@C_82~3- from the MEM charge density. The Sc-Sc distance in the equilateral triangular Sc_3 cluster is 2.3(3)A.