On the possibility of Si-60 structure - An AM1 treatment


Turker L.

POLYCYCLIC AROMATIC COMPOUNDS, vol.13, no.2, pp.119-125, 1999 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 13 Issue: 2
  • Publication Date: 1999
  • Doi Number: 10.1080/10406639908020557
  • Title of Journal : POLYCYCLIC AROMATIC COMPOUNDS
  • Page Numbers: pp.119-125

Abstract

A semiempirical treatment at the level of AMI type calculations has been carried out for Si-60 structure and compared with C-60 It has been found that Si-60 is more endothermic and thus less stable. Moreover, silicon substitutional doping on the periphery of hexagonal rings is more destabilizing than the I:ase involving periphery of the pentagonal rings in the structure of C-60.