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

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Turker L.

POLYCYCLIC AROMATIC COMPOUNDS, vol.13, no.2, pp.119-125, 1999 (SCI-Expanded)

• Publication Type: Article / Article
• Volume: 13 Issue: 2
• Publication Date: 1999
• Doi Number: 10.1080/10406639908020557
• Journal Name: POLYCYCLIC AROMATIC COMPOUNDS
• Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Page Numbers: pp.119-125
• Middle East Technical University Affiliated: No

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.