The structure of C60F36
โ Scribed by Andrei A. Gakh; Albert A. Tuinman
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- French
- Weight
- 95 KB
- Volume
- 42
- Category
- Article
- ISSN
- 0040-4039
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โฆ Synopsis
Detailed analyses of 1D and 2D 19 F NMR experiments confirm the theoretically predicted structure of the major most thermodynamically stable C 3 isomer of C 60 F 36 , which is distinctly tetrahedral in shape.
๐ 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
The electronic structure of Ca@Cso in the gas phase was probed by ultraviolet photoelectron spectroscopy (UPS) ofCa@CG. The electron affinity of Ca@C, was found to be 3.0 eV. The spectrum suggests that Ca donates its two 4s electrons to the Cm t,. LUMO. Ab initio self-consistent field Hartree-Fock c