TY - JOUR
T1 - On the so-called "semi-ionic" C-F bond character in fluorine-GIC
AU - Sato, Yuta
AU - Itoh, Keiji
AU - Hagiwara, Rika
AU - Fukunaga, Toshiharu
AU - Ito, Yasuhiko
N1 - Funding Information:
Dr. Shinji Kohara of Japan Synchrotron Radiation Research Institute is acknowledged for his kind advices. A part of this work was financially supported by Kyoto University 21st Century COE Program “Establishment of COE on Sustainable Energy System.”
Copyright:
Copyright 2008 Elsevier B.V., All rights reserved.
PY - 2004
Y1 - 2004
N2 - 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.
AB - 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.
KW - A. Graphite, intercalation compounds
KW - B. Intercalation
KW - C. Neutron scattering
KW - D. Crystal structure
UR - http://www.scopus.com/inward/record.url?scp=5744253166&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=5744253166&partnerID=8YFLogxK
U2 - 10.1016/j.carbon.2004.08.012
DO - 10.1016/j.carbon.2004.08.012
M3 - Article
AN - SCOPUS:5744253166
SN - 0008-6223
VL - 42
SP - 3243
EP - 3249
JO - Carbon
JF - Carbon
IS - 15
ER -