Anomalous endohedral structure of Gd@C-82 metallofullerenes

作者：Nishibori E^*; Iwata K; Sakata M; Takata M; Tanaka H; Kato H; Shinohara H

来源：Physical Review B, 2004, 69(11): 113412.

DOI：10.1103/PhysRevB.69.113412

An anomalous endohedral structure of Gd@C-82 metallofullerenes has been revealed by synchrotron radiation powder structure analysis by using the maximum entropy method. The Gd@C-82 metallofullerene has C-82-C-2V cage structure as for Sc@C-82 and La@C-82 fullerenes. The Gd atom is located in the vicinity of the C-C double bond on the C-2 molecular axis in the C-82/C-2V cage, which is the opposite end of the six-membered ring where Sc and La atoms in Sc@C-82 and La@C-82 are known to be placed. Furthermore, a significant overlap of the electron density distribution has been found between Gd atoms and carbon cages. A significantly polarized distribution of electrons has also been found on the carbon cage around the encapsulated Gd atom.

• 出版日期2004-3