ENDOHEDRAL AND EXOHEDRAL ELECTRONIC INTERACTIONS BETWEEN METALS AND GIANT FULLERENE CAGES

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1995

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Ohio State University

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We shell consider special metals with the right number of electrons to stay inside the carbon cages of the right symmetry or 10 replace the carbon on the surface. For fullerene cages1.3 with subgroup of three-fold symmetry and three or six free π electrons, we consider C34(C34),C36(C36),C60(C60),C74(C74),C32(C32) etc. For cages with subgroup of "four" -fold and two-fold symmetry we consider C29+(C29),C33+(C33),C34+(C34),C28(T28),C56(Td),C76(Td) etc., some may also have four or eight free π radical electrons. The metals with three electrons are Sc,Y,La, etc., with "four" electrons are Ti,Zr,Hf,ThU etc. These will be compared with metallocenes Cr(C6H6)2,Fe(C5H5)2 and U(C3H3)2.

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  1. Y. -N. Chiu and B. -C, Wang, J. Mol. Strul. (Theochem), 283, 13 (1994). 2. Y. -N. Chiu. P. Ganelin, X, Jiang and B. -C. Wang, J. Mol. Strut. (Theochem) 312, 215 (1994). 3. Y. -N. Chiu. X. Jiang, P. Ganelin and B. -C. Wang, J. Mol. Strut. (Theochem) 000,000(1995).

Author Institution: The Catholic Univ. of America, Washington D. C. 20064.

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