✦ LIBER ✦
Photochemistry of heterocyclic aromatic N-oxides VI. A CNDO-CI analysis of ground and excited state properties of pyridine-N-oxide
✍ Scribed by Claude Leibovici; Jacques Streith
- Book ID
- 104247377
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- French
- Weight
- 265 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0040-4039
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✦ Synopsis
In connection with the photochemical behaviour of pyridine-N-oxide 1, and of its derivatives, which have been investigated by us and by others ( 1,2 ), we undertook a semi-empirical study of the ground state and excited state properties of pyridine-N-oxide itself. The quanto-chemical approach, which is being used throughout this preliminary work, is based upon the CNDO-CI method as modified by Del Bene and by Jaffe ( 3 ); this mathematical model permits an interpretation of the absorption spectrum of pyridine-N-K. Seibold, G. Wagniere and I-l. Labhart,