Étude théorique des systèmes hétéroatomiques conjugués. III. les composés carbonylés
✍ Scribed by C. Aussems; S. Jaspers; G. Leroy; F. van Remoortere
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2010
- Weight
- 259 KB
- Volume
- 78
- Category
- Article
- ISSN
- 0037-9646
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📜 SIMILAR VOLUMES
The method described in the two previous papers of this series is further extended to poly-aza-derivatives of the conjugated hydrocarbons by fitting the integral (N +:NN) to the first singlet-singlet transition of pyridazine. Results are in satisfactory agreement with experiment.
Using parameters fitted to the pyridine spectrum, SCF calculations have been carried through for seven monoaza cyclic compounds. The results obtained are discussed in the light of available experimental data and attention is particularly drawn to the electronic spectra and the ionization potentials.