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Carbon‐Fluorine Bondings of Fluorinated Fullerene and Graphite
Author(s) -
Matsuo Yoshiaki,
Nakajima Tsuyoshi
Publication year - 1995
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.19956211119
Subject(s) - fluorine , fullerene , ionic bonding , intercalation (chemistry) , graphite , carbon fibers , covalent bond , x ray photoelectron spectroscopy , chemistry , spectral line , materials science , computational chemistry , inorganic chemistry , crystallography , ion , organic chemistry , composite number , chemical engineering , composite material , physics , astronomy , engineering
Carbon‐fluorine bondings of fluorinated fullerenes and fluorine‐graphite intercalation compound C x F were investigated in detail on the basis of XPS data and the potential model using the charge distribution calculated by semiempirical method. It has been confirmed by the present study that two peaks in the C 1s spectra observed for fluorinated fullerenes are assigned to carbon atoms bonded to fluorine atoms and those unbound to fluorine atoms, and the small difference in charges and Madelung potentials of fluorine atoms in different circumstances well explains the single peak in F 1s spectra of fluorinated fullerenes. In the calculated structures of 1,3‐C 60 F 2 and 1,2‐C 60 F x (x = 2−6) used as the models of C x F, three kinds of carbon‐fluorine bondings were observed corresponding to nearly ionic, semicovalent and covalent CF bondings. The calculated result supports that the bi‐intercalation structure of stage 1 C x F consists of nearly ionic and semi‐covalent fluorines.