Calculation of triplet energies in azanaphthalenes
✍ Scribed by H.H. Jaffé; C.A. Masmanidis
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 163 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Calculated energies.ofseverai low-lying triplet states of quinoline, isoquinoIine and a series of diazanap~~~cnes are reported for comparison with a recent determination of the nature of the lowest triplet. 'The calculations were made both by ihe CNDO/S CI method and by a direct SCF calculation of the appropriate states by a variant of the CNDOlS method. Phosphorescence tietimes are also given.
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## Abstract The HeI photoelectron spectra of the N‐oxides of the azanaphthalenes **1**–**5** and of the azaanthracenes **6**, **7** were ascertained. The inferred ionisation energies, and the assignments of the spectra, are presented and are discussed in respect to the electronic structures of the