SINGLE-CRYSTAL OF C60FX AND THE X-RAY STRUCTURAL-ANALYSIS

Authors
OKINO F KAWASAKI S FUKUSHIMA Y KIMURA M NAKAJIMA T TOUHARA H
Citation
F. Okino et al., SINGLE-CRYSTAL OF C60FX AND THE X-RAY STRUCTURAL-ANALYSIS, Fullerene science and technology, 4(5), 1996, pp. 873-885
Citations number
10
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical","Material Science
Journal title
Fullerene science and technology → ACNP
ISSN journal
1064122X
Volume
4
Issue
5
Year of publication
1996
Pages
873 - 885
Database
ISI
SICI code
1064-122X(1996)4:5<873:SOCATX>2.0.ZU;2-M
Abstract
Single crystals of fluorinated fullerene C60Fx have been grown by subl imation. The crystal, ca. C60F46, has an fcc lattice with the cell con stant 17.158(3) Angstrom. The rotating molecules can be regarded as tw o inner spherical shells of carbon with radii 3.13 and 3.83 Angstrom a nd an outer spherical shell of fluorine at 5.12 Angstrom away from the center. PM3 calculations on C60F44,46,48 support the electron distrib ution in the ca. C60F46 determined by the X-ray structural analysis.