TY - JOUR
T1 - Structure of endohedral dimetallofullerene Sc2@C84
AU - Takata, Masaki
AU - Nishibori, Eiji
AU - Umeda, Buntaro
AU - Sakata, Makoto
AU - Yamamoto, Etsuji
AU - Shinohara, Hisanori
PY - 1997/4/28
Y1 - 1997/4/28
N2 - The endohedral nature of dimetallofullerene Sc2@C84 is determined for the first time by a method which is a combination of the maximum entropy method (MEM) and the Rietveld refinement from synchrotron powder diffraction data. The obtained MEM charge density clearly shows the D2d-symmetry cage structure, indicating the rotation of Sc2@C84 molecules in solid state is almost quenched even at room temperature. From the MEM charge density, the encapsulated Sc-Sc distance and the nearest Sc-C distance are 3.9(1) and 2.4(1) Å, respectively.
AB - The endohedral nature of dimetallofullerene Sc2@C84 is determined for the first time by a method which is a combination of the maximum entropy method (MEM) and the Rietveld refinement from synchrotron powder diffraction data. The obtained MEM charge density clearly shows the D2d-symmetry cage structure, indicating the rotation of Sc2@C84 molecules in solid state is almost quenched even at room temperature. From the MEM charge density, the encapsulated Sc-Sc distance and the nearest Sc-C distance are 3.9(1) and 2.4(1) Å, respectively.
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U2 - 10.1103/PhysRevLett.78.3330
DO - 10.1103/PhysRevLett.78.3330
M3 - Article
AN - SCOPUS:0000244412
SN - 0031-9007
VL - 78
SP - 3330
EP - 3333
JO - Physical Review Letters
JF - Physical Review Letters
IS - 17
ER -