An anomalous endohedral structure of Gd@C82 metallofullerenes has been revealed by synchrotron radiation powder structure analysis by using the maximum entropy method. The Gd@C82 metallofullerene has C82-C2V cage structure as for Sc@C82 and La@C82 fullerenes. The Gd atom is located in the vicinity of the C-C double bond on the C2 molecular axis in the C82/C2V cage, which is the opposite end of the six-membered ring where Sc and La atoms in Sc@C82 and La@C82 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.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 2004 Mar 29|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics