TY - JOUR
T1 - Charge density level structures of endohedral metallofullerenes determined by synchrotron radiation powder method
AU - Takata, Masaki
AU - Nishibori, Eiji
AU - Sakata, Makoto
AU - Shinohara, Hisanori
PY - 2002
Y1 - 2002
N2 - The recent X-ray structural studies of endohedral metallofullerenes by synchrotron radiation (SR) powder diffraction utilizing the maximum entropy method (MEM) are reviewed. Results for endohedral metallofullerenes (Y@C82, La@C82, Sc@C82, Sc2@C84, Sc3@C82, Sc2@C66, La2@C80 and Sc2C2@C84) are given. The precise MEM charge densities of metallofullerenes present direct images of the endohedral nature of metallofullerenes and reveal the features of the charge transfer from metal atoms to a carbon cage, which governs the stability of the unique endohedral structures. The MEM/Rietveld method, which is the crucial method for structural determination of endohedral metallofullerenes based on SR powder data, is also described in some detail.
AB - The recent X-ray structural studies of endohedral metallofullerenes by synchrotron radiation (SR) powder diffraction utilizing the maximum entropy method (MEM) are reviewed. Results for endohedral metallofullerenes (Y@C82, La@C82, Sc@C82, Sc2@C84, Sc3@C82, Sc2@C66, La2@C80 and Sc2C2@C84) are given. The precise MEM charge densities of metallofullerenes present direct images of the endohedral nature of metallofullerenes and reveal the features of the charge transfer from metal atoms to a carbon cage, which governs the stability of the unique endohedral structures. The MEM/Rietveld method, which is the crucial method for structural determination of endohedral metallofullerenes based on SR powder data, is also described in some detail.
KW - Charge density
KW - Maximum entropy method
KW - Metallofullerene
KW - Powder diffraction
KW - Synchrotron radiation
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M3 - Article
AN - SCOPUS:0036429772
SN - 1344-9931
VL - 12
SP - 271
EP - 286
JO - New Diamond and Frontier Carbon Technology
JF - New Diamond and Frontier Carbon Technology
IS - 5
ER -