A solid-­state NMR study of C70: a model molecule for amorphous carbons

M. Deschamps (1, 2, 3) , S. Cadars (1, 2) , E. Gilbert (2, 4) , P. Azaïs (5) , E. Raymundo-Pinero (2, 4) , F. Béguin (2, 4) , D. Massiot (1, 2, 3, 6)

1 CEMHTI - Conditions Extrêmes et Matériaux : Haute Température et Irradiation
2 UO - Université d'Orléans
3 RS2E - Réseau sur le stockage électrochimique de l'énergie
4 CRMD - Centre de Recherche sur la Matière Divisée
5 BATSCAP - BATSCAP
6 FRMN-SHC - Fédération RMN du Solide à Hauts Champs

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

Domaines: Matériaux

M. Deschamps, S. Cadars, E. Gilbert, P. Azaïs, E. Raymundo-Pinero, et al.. A solid-­state NMR study of C70: a model molecule for amorphous carbons. Solid State Nuclear Magnetic Resonance, 2012, 42, pp.81-86. ⟨10.1016/j.ssnmr.2012.01.001⟩. ⟨hal-00620707⟩