Electron-Diffraction Investigation of the Fluorofullerene C 60 F 48
β Scribed by Hedberg, Lise; Hedberg, Kenneth; Boltalina, Olga V.; Galeva, Nadezda A.; Zapolskii, Albert S.; Bagryantsev, V. F.
- Book ID
- 126814143
- Publisher
- American Chemical Society
- Year
- 2004
- Tongue
- English
- Weight
- 193 KB
- Volume
- 108
- Category
- Article
- ISSN
- 1089-5639
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Electronic structures of the icosahedral C&H,,, hydrocarbon and its perfhroro analog, C6nF6,,, are examined at the HF/4-31G and HF/6-3 lG\*\* levels. The calculated C-C bond lengths are as large as 1.57 A in C63Hb0 and 1.63 A in CbDF60. The bond lengthening is attributed to the H-H and F-F steric in