Single Crystal of C60F X and the X-Ray Structural Analysis |
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| Authors: | Fujio Okino Shinji Kawasaki Yoko Fukushima Masaru Kimura Tsuyoshi Nakajima Hidekazu Touhara |
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| Affiliation: | 1. Department of Chemistry , Faculty of Textile Science and Technology Shinshu University , 3-15-1, Tokida, Ueda 386, Japan;2. Department of Chemistry and Material Engineering , Faculty of Engineering Shinshu University , 500 Wakasato, Nagano 380, Japan |
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| Abstract: | Abstract Single crystals of fluorinated fullerene C60F x have been grown by sublimation. The crystal, ca. C60F46, has an fcc lattice with the cell constant 17.158(3) Å. The rotating molecules can be regarded as two inner spherical shells of carbon with radii 3.13 and 3.83 Å and an outer spherical shell of fluorine at 5.12 Å away from the center. PM3 calculations on C60F44,46,48 support the electron distribution in the ca. C60F46 determined by the X-ray structural analysis. |
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