A theoretical study on the simplest fullerene, C-20 - an AM1 treatment

Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.625, pp.169-171, 2003 (SCI-Expanded) identifier identifier


Within the constraints of AM1 (UHF) type semiempirical quantum chemical treatment, C-20 and its cationic and anionic forms were considered for their stabilities. The results revealed that C-20 has a greater tendency to act as electron acceptor than a donor. C-20(-) and C-20(-2) were found to be even more stable than C-20. (C) 2003 Elsevier Science B.V. All rights reserved.