Retrosynthetic analysis of fullerene C(60): structure, stereochemistry, and calculated stability of C(30) fragments.
نویسندگان
چکیده
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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ورودعنوان ژورنال:
- The Journal of organic chemistry
دوره 67 2 شماره
صفحات -
تاریخ انتشار 2002