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

Authors
Turker, L
Citation
L. Turker, On the possibility of Si-60 structure - An AM1 treatment, POLYCYCL AR, 13(2), 1999, pp. 119-125
Citations number
32
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
POLYCYCLIC AROMATIC COMPOUNDS
ISSN journal
10406638 → ACNP
Volume
13
Issue
2
Year of publication
1999
Pages
119 - 125
Database
ISI
SICI code
1040-6638(1999)13:2<119:OTPOSS>2.0.ZU;2-L
Abstract
A semiempirical treatment at the level of AMI type calculations has been ca rried 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 substitu tional doping on the periphery of hexagonal rings is more destabilizing tha n the I:ase involving periphery of the pentagonal rings in the structure of C-60.