✦ LIBER ✦
13C1H spin–spin couplings in cyclic α,β-unsaturated enones and their protonated derivatives. Measurements and quantum chemical calculations
✍ Scribed by J. Schreurs; C. A. H. Van Noorden-Mudde; L. J. M. van de Ven; J. W. de Haan
- Publisher
- John Wiley and Sons
- Year
- 1980
- Tongue
- English
- Weight
- 487 KB
- Volume
- 13
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
Abstract
Direct and long‐range ^13^C^1^H coupling constants are presented for the enone moieties of cyclopent‐2‐enone, cyclohex‐2‐enone and their protonated derivatives. A correlation is given between the experimental values and the results of quantum chemical calculations (CNDO/2, INDO). The existing calculations are modified in order to improve the relationship between the calculated and experimental results.