Metastable evaporation of carbon cluster ions produced from excimer laser ablation of polyimide has been investigated in a reflectron time-of-flight (TOF) mass spectrometer. Rate constants for the decay process are extracted from the parent and fragment peak intensities. The rate constants increase
Structure, stability, and fragmentation of small carbon clusters
β Scribed by Raghavachari, Krishnan; Binkley, J. S.
- Book ID
- 118146211
- Publisher
- American Institute of Physics
- Year
- 1987
- Tongue
- English
- Weight
- 778 KB
- Volume
- 87
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.453145
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The electronic energies and geometries of the 'A, ring and the 'C.$ linear isomers of C,, have been computed and compared at the HF, MP2 and DFT levels. Previous DFT calculations predicted the ring to be more stable than the linear form by about 20-30 kcal/mol, which is in apparent conflict with a r
The heats of formation and optimum structures of various neutral C,, clusters (n< -60) and linear C,' cations (rz < 40) were determined by quantum chemical calculations. Buckminsterfullerene is thermodynamically more stable than the next stable form of C,, by about 600 kcal/mol. C, and C, fullerenes