On the so-called "semi-ionic" C-F bond character in fluorine-GIC

Yuta Sato, Keiji Itoh, Rika Hagiwara, Toshiharu Fukunaga, Yasuhiko Ito

Research output: Contribution to journalArticle

133 Citations (Scopus)

Abstract

The short-range structures of fluorine-graphite intercalation compounds with stage-1 structures, CXF (x = 2.47,2.84, 3.61), were analyzed by means of neutron diffraction. It has been shown that the so-called "semi-ionic" C-F bond character in CxF is essentially covalent with the bond length of 0.140nm, and the original planar graphene sheets are buckled at the sp3-hybridized carbon atoms bound to fluorine atoms. Conjugated C-C double bonds with the bond length of 0.142 nm are preserved between the carbon atoms unbound to fluorine atoms in CXF, while other C-C bonds are single bonds with the bond lengths of 0.153 nm. The C-F bond order in CXF is slightly lower than those in poly(carbon monofluoride) ((CF)n) and poly(dicarbon monofluoride) ((C 2F)n), which is explained by the hyperconjugation involving the C-C bonds on the carbon sheets and C-F bond.

Original languageEnglish
Pages (from-to)3243-3249
Number of pages7
JournalCarbon
Volume42
Issue number15
DOIs
Publication statusPublished - Oct 28 2004
Externally publishedYes

Keywords

  • A. Graphite, intercalation compounds
  • B. Intercalation
  • C. Neutron scattering
  • D. Crystal structure

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)

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