Conditions Extrêmes et Matériaux : Haute Température et Irradiation
CEMHTI - UPR3079 CNRS

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2012

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M.Deschamps, S.Cadars, E.Gilbert, P.Azaïs, E.Raymundo-Pinero, F.Béguin, D.Massiot, 'A solid-state NMR study of C70: a model molecule for amorphous carbons.', Solid State NMR 42 81-86 (2012) doi:10.1016/j.ssnmr.2012.01.001

In this paper, we show that natural abundance, solid-state MAS-NMR 13C INADEQUATE spectra can be recorded for crystallized C70, using the through-bond J-coupling for the magnetization transfer. The effect of strong J-coupling can be lessened at higher magnetic fields, allowing the observation of cross-peaks between close resonances. DFT calculations of the chemical shifts show an excellent agreement with the experimental values. A correlation is observed between the average CCC bond angles and the 13C chemical shift, offering a way to understand the dispersion of 13C chemical shifts in nanoporous activated carbons in terms of local deviation from planarity.