Symmetrical clusters of carbon atoms: The C24 and C60 molecules
β Scribed by Jerome M. Schulman; Raymond L. Disch; Mitchell A. Miller; Rosalie C. Peck
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 271 KB
- Volume
- 141
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
We report ab initio and AM1 calculations on CZ4 in octahedral symmetry, including geometry optimization and vibrational analysis. The heats of formation and first ionization potentials of CZ4 and C6e are computed.
π SIMILAR VOLUMES
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
Analysis of the Raman spectra of three brominated ftierenes, obtained at 1 cm-' resolution, provides supporting evidence for the structural models derived from X-my single crystal studies. The measured Raman frequencies can be mtiottaliied on tbe basis of symmetry considerations.
The carbon arc soot from a fullerene generator was exhaustively extracted with toluene, pyridine, toluene then pyridine, benzene and carbon disulphide. Complete extraction of C,, and C,, was not fully achieved with any solvent since the residue was shown to contain occluded C,, and C,,. Fourier tran