A solid-state NMR study of C-70: A model molecule for amorphous carbons

作者：Deschamps Michael^*; Cadars Sylvian; Gilbert Edouard; Azais Philippe; Raymundo Pinero Encarnacion; Beguin Francois; Massiot Dominique

来源：Solid State Nuclear Magnetic Resonance, 2012, 42: 81-86.

DOI：10.1016/j.ssnmr.2012.01.001

• Carbon
• Supercapacitor
• C-13 INADEQUATE
• DFT

We show that natural abundance, solid-state MAS-NMR C-13 INADEQUATE spectra can be recorded for crystallized C-70, using the through-bond J-coupling for the magnetization transfer. The effect of strong J-coupling can be lessened at high 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 C-13 chemical shift, offering a way to understand the dispersion of C-13 chemical shifts in nanoporous activated carbons in terms of local deviations from planarity.

• 出版日期2012-4