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Electric and magnetic properties of the aromatic sixty-carbon cage
Open accessAbstract
Abstract We report the use of large supercomputer resources to perform the first ab initio calculations on the polarisability and magnetisability of C 60 and its smaller analogue C 20 2+ . It is found that both molecules have the high polarisability characteristic of π systems and the diamagnetic magnetisability typical of aromatic molecules. Insofar as it is possible to extrapolate to the basis-set limit, the calculations predict net diamagnetism for the clusters, and a diamagnetic effect on the NMR chemical shift of an encapsulated atom.
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Citations
Cited by
All-Metal Aromaticity and Antiaromaticity
Boldyrev, A. I., & Wang, L.-S. (2005) · Chemical Reviews · doi:10.1021/cr030091t · Cited by 608
Probing the interior of fullerenes by 3He NMR spectroscopy of endohedral 3He@C60 and 3He@C70
Saunders, M., Jiménez-Vázquez, H. A., Cross, R. J., Mroczkowski, S., Freedberg, D. I., & Anet, F. A. L. (1994) · Nature · doi:10.1038/367256a0 · Cited by 347
Collective plasmon excitations inC60clusters
Bertsch, G. F., Bulgac, A., Tománek, D., & Wang, Y. (1991) · Physical Review Letters · doi:10.1103/physrevlett.67.2690 · Cited by 318
Relative stabilities of fullerene, cumulene, and polyacetylene structures for C n : n=18–60
Feyereisen, M., Gutowski, M., Simons, J., & Almlöf, J. (1992) · The Journal of Chemical Physics · doi:10.1063/1.461989 · Cited by 163
Metadata
- Authors
- Fowler, P. W., Lazzeretti, P., & Zanasi, R.
- Venue
- Chemical Physics Letters
- Publisher
- Elsevier BV
- Published
- 1990-01
- Volume
- 165
- Issue
- 1
- Pages
- 79-86
- ISSN
- 0009-2614 (ISSN-L)
- OpenAlex
- W1996150862
- Cited by
- 183
- References
- 0
- FWCI
- 40.93
- Type
- journal article
- Language
- en
- Open access
- green
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