Isomeric C60F36(g) species: Computed structures and heats of formation
✍ Scribed by Z. Slanina; F. Uhlík; O. V. Boltalina; V. P. Kolesov
- Book ID
- 110129689
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2002
- Tongue
- English
- Weight
- 26 KB
- Volume
- 44
- Category
- Article
- ISSN
- 1063-7834
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MM2-87 calculations have been performed on Cm (buckminsterfullerene; footballene) and C,, with full energy minimization. The steric energies for C,, and C,, were computed to be 179.9 and 177.9 kcal/mol, respectively. The heats of formation for C,, and C70 were computed to be 519.8 and 582.6 kcal/mol
## Abstract The structure of acanthaganglioside C (1) has been re‐examined using MQ‐COSY, TOCSY, NOESY, HSQC, HMBC and HSQC‐TOCSY experiments. As a result, it is clarified that N‐acetyl neuraminic acid (NeuAc) is linked to the C‐3 position, and not the C‐4 position, of the β‐galactopyranose. In add