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 $cages^{1.3}$ with subgroup of three-fold symmetry and three or six free $\pi$ electrons, we consider $C_{34}(C_{34}), C_{36}(C_{36}), C_{60}(C_{60}), C_{74}(C_{74}), C_{32}(C_{32})$ etc. For cages with subgroup of "four" -fold and two-fold symmetry we consider $C^{+}_{29}(C_{29}), C^{+}_{33}(C_{33}), C^{+}_{34}(C_{34}), C_{28}(T_{28}), C_{56}(T_{d}), C_{76}(T_{d})$ etc., some may also have four or eight free $\pi$ radical electrons. The metals with three electrons are $Sc, Y, La$, etc., with "four" electrons are $Ti, Zr, Hf, Th U$ etc. These will be compared with metallocenes $Cr(C_{6}H_{6})2, Fe(C_{5}H_{5})_{2}$ and $U(C_{3}H_{3})_{2}$.

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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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