C28 (D-2): Fullerene growth mechanism

Reactions among the mono- to polycyclic carbon clusters have been analyzed using semiempirical AM1 and HF/6-31G* methods. The C-28 (D-2) fullerene cag e has been considered. Various precursors are chosen with the appropriate c arbon belts. It is observed that the reactions between the precursors and t he belts are essentially endoergic in nature, whereas the reactions between the stable intermediates and the final belts are exoergic. Further, the se cond step of the process is really akin to an annealing mechanism. Also, it has been observed that, in the annealing process, a cascade type of bond-f orming mechanism is in operation. (C) 2001 John Wiley & Sons, Inc.