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Short-range structures of poly(dicarbon monofluoride) (C2F)n and poly(carbon monofluoride) (CF)n

Short-range structures of poly(dicarbon monofluoride) (C2F)n and poly(carbon monofluoride) (CF)n. Sato, Yuta; Itoh, Keiji; Hagiwara, Rika; Fukunaga, Toshiharu; Ito, Yasuhiko (Department of Fundamental Energy Science, Graduate School of Energy Science, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan). Carbon, 42(14), 2897-2903 (English) 2004 Elsevier Ltd. CODEN: CRBNAH. ISSN: 0008-6223. DOCUMENT TYPE: Journal CA Section: 75 (Crystallography and Liquid Crystals) Section cross-reference(s): 65 The short-range structures of the so-called graphite fluorides, poly(dicarbon monofluoride) ((C2F)n) and poly(carbon monofluoride) ((CF)n), are discussed, based on the neutron diffraction data. The C-C and C-F bond lengths in these compds. are 0.157-0.158 and 0.136 nm, resp., which slightly differ from those previously evaluated and coincide with those found in polytetrafluoroethylene (PTFE). The structure models of (C2F)n (both AB-type and AA'-type) and (CF)n were refined so as to give the best fit of the at. 144913-72-4 and 71183-38-5 which are cas registry numbers are also used here. pair distribution functions calcd. for them (Gcalc(r)'s) to those exptl. obsd. for (Gobs(r)'s). Since the Gobs(r) of (C2F)n better fits to the Gcalc(r)'s of AB-type model rather than those for AA'-type model, the latter model is ruled out. The a-lattice parameter and the C-C-C bond angle in the refined structure model of (CF)n (0.260-0.261 nm and 111°, resp.) are slightly larger than those of (C2F)n (0.256-0.257 nm and 109-110°, resp.). .