Retrosynthetic analysis of fullerene C(60): structure, stereochemistry, and calculated stability of C(30) fragments. |
| |
| Authors: | Florence Geneste Alec Moradpour Georges Dive Daniel Peeters Jacques Malthête Jean-Fran?ois Sadoc |
| |
| Institution: | Laboratoire de Physique des Solides UMR C8502 of CNRS, University Paris-Sud, F-91405 Orsay Cedex, France. |
| |
| 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. |
| |
| Keywords: | |
|
|
