The Temperature Dependence of Chemical Shifts of Individual Peaks in the 13C NMR Spectrum of the Fullerite C60, Doped with Molecular Oxygen
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The methods of solid-state high-resolution NMR have been applied to investigate samples of fullerite C60, doped with molecular oxygen. It was found that in the case of well-crystallized (O2)0.44C60 sample the temperature dependence of the relative chemical shift of the satellite peaks reveals jump nearly the orientational phase transition temperature. At temperatures above the phase transition, the shift due to the redistribution of electron density was ~ 0.1 ppm, which corresponds to the transfer of 0.05 electron from O2 molecule to the fullerene molecule.
KeywordsFullerite C60(O2)x Phase transition Oxygen content Electron density NMR spectrum Chemical shift Temperature
This work was supported by the Russian Foundation for Basic Research (project No 09-03-00597-a).
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