| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1410942 | Journal of Molecular Structure | 2010 | 5 Pages |
Abstract
Results of topological analysis of the electron density in the frameworks of the Bader's theory of Atoms-in-Molecules (AIM) and analysis of the Becke and Edgecombe Electron Localization Function (ELF) on fluorine- and sulphur-substituted polyacetylenes are reported. AIM method indicates the presence of additional interaction between atoms in side chains. The lack of valence, disynaptic attractor basins V(F, Fâ²) and V(S, Sâ²) in ELF analysis support the conclusions of AIM about closed-shell type of F-F and S-S interactions.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Piotr Durlak, Krzysztof Mierzwicki, ZdzisÅaw Latajka, Henryk Ratajczak,