Dynamic charge fluctuation of endohedral fullerene with coencapsulated Be atom and H-2

摘要

As one of the typical examples of characteristic reaction field generated in inclusion (enclosure) compounds, the dynamics of an endohedral metallofullerene, (Be+nH(2))@C-60(n=1,2), is studied with Be atom serving as a test probe. A very large dynamical and thermal fluctuation of electronic state of Be has been found, which is surprising since the highest occupied molecular orbital-lowest unoccupied molecular orbital gap of Be is so wide that such a large fluctuation in a low temperature is never expected. This finding demonstrates one of the special features of endohedral reaction field offered by the fullerene. The physical origin of this phenomenon is analyzed. (c) 2005 American Institute of Physics.