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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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Étude Théorique Des Dérivés Azotés Des H
✍ G. Leroy; F. van Remoortere; C. Aussems 📂 Article 📅 2010 🏛 Wiley (John Wiley & Sons) ⚖ 300 KB

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.

Étude Théorique Des Dérivés Azotés Des H
✍ G. Leroy; C. Aussems; F. van Remoortere 📂 Article 📅 2010 🏛 Wiley (John Wiley & Sons) ⚖ 317 KB 👁 1 views

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.