C28 (D2): Fullerene growth mechanism

Rama K. Mishra; Ying‐Ting Lin; Shyi‐Long Lee

doi:10.1002/qua.1419

journal article Jan 01, 2001

C28 (D2): Fullerene growth mechanism

Rama K. Mishra Ying‐Ting Lin Shyi‐Long Lee

International Journal of Quantum Chemistry Vol. 84 No. 6 pp. 642-648 · Wiley

View at Publisher Save 10.1002/qua.1419

Abstract

AbstractReactions among the mono‐ to polycyclic carbon clusters have been analyzed using semiempirical AM1 and HF/6‐31G* methods. The C28 (D2) fullerene cage has been considered. Various precursors are chosen with the appropriate carbon belts. It is observed that the reactions between the precursors and the belts are essentially endoergic in nature, whereas the reactions between the stable intermediates and the final belts are exoergic. Further, the second 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‐forming mechanism is in operation. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001

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Details

Published: Jan 01, 2001
Vol/Issue: 84(6)
Pages: 642-648
License: View

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Cite This Article

Rama K. Mishra, Ying‐Ting Lin, Shyi‐Long Lee (2001). C28 (D2): Fullerene growth mechanism. International Journal of Quantum Chemistry, 84(6), 642-648. https://doi.org/10.1002/qua.1419

C28 (D2): Fullerene growth mechanism

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