Influence of terminal groups on the π-electron spectra of macromolecules
✍ Scribed by I. V. Stankevich; O. B. Tomilin
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1980
- Tongue
- English
- Weight
- 393 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0022-4766
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📜 SIMILAR VOLUMES
Two methods have been envisaged for the theoretical desoription of the electronic speotra of organic molecules built from two or more .separate fragments, each being a conjugate systems (1, 2, 3).
## Abstract Aromatic polynuclear __p__‐quinones and their derivatives have been studied using their electronic absorption and luminescence spectra and their basicity. The data were used to provide a basis for the study of the relationships between the structure and the spectral characteristics.
Quantum mechanics calculations at B3LYP/6-31G (d)//HF/3-21G (d) level of the theory were carried out on second generation dendritic polyacetylenic oligomers bearing different terminal groups to clarify the impact of their nature on the electronic structure of hyperbranched polyacetylene. It was foun