Theoretical Study of the Addition Patterns of C60 Fluorination: C60Fn (n = 1-60).
β Scribed by Gregory Van Lier; Montserrat Cases; Christopher P. Ewels; Roger Taylor; Paul Geerlings
- Publisher
- John Wiley and Sons
- Year
- 2005
- Weight
- 8 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0931-7597
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π SIMILAR VOLUMES
Fluorinated fullerenes have been reported by several groups recently.[', Weight uptake and mass spectrometry studies by Selig et al. ['] have shown that direct fluorination of C,, leads to the formation of C,,F, species with n being an even number (such as C,,F,, , C,,F,, , C,,F4,, etc.) and a negli
We have used an approximate first-principles method together with a bond-polarizability model to calculate theoretical Raman spectra for the orthorhombic (O), tetragonal (T), and rhombohedral (R) phases of pressure-polymerized C 60 solid. We have also calculated Raman spectra for a sequence of C 60