Polyconjugated silicon polymers

Citation
Ag. Razuvaev et al., Polyconjugated silicon polymers, J STRUCT CH, 42(3), 2001, pp. 347-354
Citations number
17
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF STRUCTURAL CHEMISTRY
ISSN journal
00224766 → ACNP
Volume
42
Issue
3
Year of publication
2001
Pages
347 - 354
Database
ISI
SICI code
0022-4766(200105/06)42:3<347:PSP>2.0.ZU;2-D
Abstract
The geometrical and electronic structure of polyconjugated silicon polymers was calculated by ab initio quantum-chemical methods. The polymers are bui lt from linear chains of Si atoms with polyyne and cumulene bond systems. T he results of calculations agree with the experimental data on the structur e of silicyne - an amorphous substance prepared by annealing hydrogenated a morphous silicon in vacuum. The agreement between the theoretical and exper imental data is interpreted as evidence in favor of the existence of poly-c onjugated silicon polymers in the form of the structural fragments of silic yne. The existence of such polymers points to the ability of elementary sil icon to form new allotropic forms analogously to carbon.