Experimental and theoretical studies of the scandium carbide endohedral metallofullerene Sc2C2@C82 and its carbene derivative.

[1]  Mark S. Gordon,et al.  Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements , 1982 .

[2]  W. R. Wadt,et al.  Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals , 1985 .

[3]  S. C. O'brien,et al.  Lanthanum complexes of spheroidal carbon shells , 1985 .

[4]  Parr,et al.  Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.

[5]  A. Becke,et al.  Density-functional exchange-energy approximation with correct asymptotic behavior. , 1988, Physical review. A, General physics.

[6]  R. Smalley,et al.  Fullerenes with metals inside , 1991 .

[7]  Y. Saito,et al.  Encapsulation of a scandium trimer in C82 , 1992, Nature.

[8]  A. Becke Density-functional thermochemistry. III. The role of exact exchange , 1993 .

[9]  Shinohara,et al.  Divalent scandium atoms in the cage of C84. , 1995, Physical review. B, Condensed matter.

[10]  Y. Achiba,et al.  Synthesis of the First Adducts of the Dimetallofullerenes La2@C80 and Sc2@C84 by Addition of a Disilirane , 1995 .

[11]  Takeshi Akasaka,et al.  Synthese der ersten Addukte der Dimetallofullerene La2@C80 und Sc2@C84 durch Addition eines Disilirans , 1995 .

[12]  Takeshi Akasaka,et al.  Endohedral dimetallofullerenes Sc2@C84 and La2@C80. Are the metal atoms still inside the fullerence cages? , 1996 .

[13]  Hironori Kawahara,et al.  {sup 13}C-NMR study on the structure of isolated Sc{sub 2}@C{sub 84} metallofullerene , 1996 .

[14]  Y. Maniwa,et al.  Motion of Scandium Ions in Sc2C84 Observed by 45Sc Solution NMR , 1996 .

[15]  Hisanori Shinohara,et al.  Structure of Endohedral Dimetallofullerene Sc{sub 2}{at}C{sub 84} , 1997 .

[16]  M. Hulman,et al.  Diatomic metal encapsulates in fullerene cages: A Raman and infrared analysis of C84 and Sc2@C84 with D2d symmetry , 1999 .

[17]  M. Sakata,et al.  Pentagonal-dodecahedral la2 charge density in [80-ih ]fullerene: la2 @c80. , 2001, Angewandte Chemie.

[18]  Shigeru Nagase,et al.  Endofullerenes : a new family of carbon clusters , 2002 .

[19]  S. Nagase,et al.  Chemical reactivity and redox property of Sc3@C82 , 2004 .

[20]  G. Kresse,et al.  Fullerene quantum gyroscope. , 2004, Physical review letters.

[21]  S. Nagase,et al.  Chemical reactivity of sc3n @ c80 and la2 @ c80. , 2005, Journal of the American Chemical Society.

[22]  Takeshi Akasaka,et al.  Structural determination of metallofullerene Sc3C82 revisited: a surprising finding. , 2005, Journal of the American Chemical Society.

[23]  S. Nagase,et al.  13C NMR spectroscopic study of scandium dimetallofullerene, Sc2@C84 vs. Sc2C2@C82. , 2006, Chemical communications.

[24]  M. Sakata,et al.  Bent (metal)2C2 clusters encapsulated in (Sc2C2)@C82(III) and (Y2C2)@C82(III) metallofullerenes , 2006 .