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An NMR study of the occupation of C sub 60 interstitial sites by oxygen molecules

Conference ·
OSTI ID:7034684
The 13{sub C} NMR of FCC C{sub 60} under magic angle spinning (MAS) conditions yields linewidths on the order of 1 Hz at fields of 4.7 T. The spectrum consists of a primary resonance at 143.7 ppm and a minor peak shifted 0.7 ppm downfield. The intensity of the minor resonance relative to the primary resonance was found to vary from 0.6 to 5.5 % depending on the sample history. The downfield shift obeys Curie's law and is attributed to the Fermi contact coupling interaction between paramagnetic oxygen molecules and all 60 carbon atoms of rapidly rotating adjacent C{sub 60} molecules. Exposure of the sample to 1 kbar oxygen for 1 3/4 hours resulted in a spectrum of 7 evenly spaced resonances corresponding to 0 to 6 of the adjacent octahedral interstitial sites being filled with oxygen molecules. At ambient pressure, the oxygen diffused out of the lattice on time scales ranging from hours to days.
Research Organization:
Sandia National Labs., Albuquerque, NM (United States)
Sponsoring Organization:
DOE; USDOE, Washington, DC (United States)
DOE Contract Number:
AC04-76DP00789
OSTI ID:
7034684
Report Number(s):
SAND-91-2592C; CONF-920402--50; ON: DE92019436
Country of Publication:
United States
Language:
English