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Solution and Solid State NMR Studies of the Structure and Dynamics of C60 and C70

Published online by Cambridge University Press:  28 February 2011

R. D. Johnson ,
C. S. Yannoni ,
J. Salem ,
G. Meijer  and
D. S. Bethune
R. D. Johnson
Affiliation:
IBM Almaden Research Center, 650 Harry Road, San Jose, CA 95120-6099
C. S. Yannoni
Affiliation:
IBM Almaden Research Center, 650 Harry Road, San Jose, CA 95120-6099
J. Salem
Affiliation:
IBM Almaden Research Center, 650 Harry Road, San Jose, CA 95120-6099
G. Meijer
Affiliation:
Dept. of Molecular and Laser Physics, Catholic University of Nijmegen, Toernooiveld, 6525 ED Nijmegen, the Netherlands.
D. S. Bethune
Affiliation:
IBM Almaden Research Center, 650 Harry Road, San Jose, CA 95120-6099
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Abstract

We have investigated the structure and dynamics of C60 and C70 with 13C NMR spectroscopy. In solution, high-resolution spectra reveal that C60 has a single resonance at 143 ppm, indicating a strained, aromatic system with high symmetry. This is strong evidence for a C60 “soccer ball” geometry. A 2D NMR INADEQUATE experiment on 13C-enriched C70 reveals the bonding connectivity to be a linear string, in firm support of the proposed “rugby ball” structure with D5h symmetry, and furnishes resonance assignments. Solid state NMR spectra of C60 at ambient temperatures yield a narrow resonance, indicative of rapid molecular reorientation. Variable temperature T1 measurements show that the rotational correlation time is ∼ 10−9s at 230 K. At 77 K, this time increases to more than 1 ms, and the 13C NMR spectrum of C60 is a powder pattern due to chemical shift anisotropy (tensor components 220, 186, 40 ppm). At intermediate temperatures a narrow peak is superimposed on the powder pattern, suggesting a distribution of barriers to molecular motion in the sample, or the presence of an additional phase in the solid state. A Carr-Purcell dipolar experiment on C60 in the solid state allows the first precise determination of the C60 bond lengths: 1.45 and 1.40Å.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 206: Symposium G – Clusters and Cluster-Assembled Materials , 1990 , 715
Copyright
Copyright © Materials Research Society 1991

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