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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 12: Poster: Nanoparticles and Composite Materials

CPP 12.32: Poster

Monday, March 11, 2013, 17:30–19:30, Poster C

Fluorine patterning in C2Fx determined by solid-state NMR and DFT — •Anastasia Vyalikh and Ulrich Scheler — IPF Dresden

A combination of solid-state NMR and DFT has been used to elucidate the structure of room-temperature synthesized graphite fluorides C2Fx intercalated with acetonitrile. 13C MAS NMR spectra confirm that all carbon sheets have been subjected to fluorination irrespective of the fluorination degree. However, the presence of graphite-like domains has been evidenced in the material with a low fluorination degree. By combining the 19F MAS NMR with DFT calculations, we demonstrate that all kinds of fluorine decoration patterns (isolated, end chain, midchain, cyclic and branched CF groups as well as infinite CF arrays and peripheral CF2 defects) may exist in the low-temperature produced graphite fluorides. Analysing the data with different degree of fluorination, an evolution of fluorine patterns was proposed, involving CF chain formation and propagation towards the increasing chain length.