Single crystal of C60Fx and the X-ray structural analysis

被引:21
作者
Okino, F [1 ]
Kawasaki, S [1 ]
Fukushima, Y [1 ]
Kimura, M [1 ]
Nakajima, T [1 ]
Touhara, H [1 ]
机构
[1] SHINSHU UNIV, FAC ENGN, DEPT CHEM & MAT ENGN, NAGANO 380, JAPAN
来源
FULLERENE SCIENCE AND TECHNOLOGY | 1996年 / 4卷 / 05期
关键词
D O I
10.1080/10641229608001149
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Single crystals of fluorinated fullerene C60Fx have been grown by sublimation. The crystal, ca. C60F46, has an fcc lattice with the cell constant 17.158(3) Angstrom. The rotating molecules can be regarded as two inner spherical shells of carbon with radii 3.13 and 3.83 Angstrom and an outer spherical shell of fluorine at 5.12 Angstrom 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.
引用
收藏
页码:873 / 885
页数:13
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