NMR and Raman characterization of pressure polymerized C60
β Scribed by P.-A. Persson; U. Edlund; P. Jacobsson; D. Johnels; A. Soldatov; B. Sundqvist
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 468 KB
- Volume
- 258
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Bulk C60 has been treated at 1.1 GPa and 550-585 K, producing a dense insoluble material which on heating to above 600 K reverts to normal C6o. Raman and IR studies on modified material show a large number of new lines, and the Raman pentagon pinch mode shifts from 1469 to 1458 cm-1 as on photopolymerization. MAS NMR shows one broadened line at the original C60 shift 144 ppm and a small peak at about 77 ppm due to the bridging carbons. None of the new resonances observed for C60 polymerized by other methods were observed. The results verify previously suggested polymeric structures where the fullerene cages are connected by four-membered rings.
π SIMILAR VOLUMES
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
## Abstract Highβpressure Raman spectra of fullerite, a solid form of C~60~, were measured at pressures up to 4 GPa and room temperature. A change of slope (d__v__/d__P__) of the frequencyβpressure plots for the __A__~g~ pentagonal pinch mode and the __A__~g~ breathing mode was observed at 1.3 GPa,