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


Turker L.

POLYCYCLIC AROMATIC COMPOUNDS, cilt.13, sa.2, ss.119-125, 1999 (SCI İndekslerine Giren Dergi) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 13 Konu: 2
  • Basım Tarihi: 1999
  • Doi Numarası: 10.1080/10406639908020557
  • Dergi Adı: POLYCYCLIC AROMATIC COMPOUNDS
  • Sayfa Sayıları: ss.119-125

Özet

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.