Retrosynthetic analysis of fullerene C-60: Structure, stereochemistry, and calculated stability of C-30 fragments
(2002) The Journal of Organic Chemistry — Vol. 67, n° 2, p. 605-607 (2002)
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- Abstract
- The total number of possible retrosynthetic bisections Of C-60 leads to nine different isometric C-30 fragments. These molecules include five chiral units, four of which derive from partitions corresponding to four distinct "Coupes du Roi". The energies, curvatures, and homodesmotic stabilization energies of the C-30 fragments are evaluated at the ab initio 6-31G level.
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Citations
Geneste, F., Moradpour, A., Dive, G., Peeters, D., Malthete, J., & Sadoc, J. (2002). Retrosynthetic analysis of fullerene C-60: Structure, stereochemistry, and calculated stability of C-30 fragments. The Journal of Organic Chemistry, 67(2), 605-607. https://doi.org/10.1021/jo016197a (Original work published 2002)