✦ LIBER ✦
15N-13C spin coupling as a probe of electronic structure in benzenediazonium ions: INDO—SOS—MO calculations and steric inhibition of resonance
✍ Scribed by T. Axenrod; X. H. Huang; D. Tufaro; C. Watnick; G. A. Webb
- Publisher
- John Wiley and Sons
- Year
- 1988
- Tongue
- English
- Weight
- 236 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
The magnitude of 1J(1SN13C) in para-substituted benzenediazonium ions has been used to assess the importance of the several resonance forms contributing to the ground state of the ion. From a comparison of values observed in &nitro-and Mimethylamino-benzenediazonium ions and their respective 3,S-dimethyl derivatives, it is concluded that diazo-type structures are important only with strong electron-releasing substituents in the aromatic ring.
INDOSOS-MO calculations indicate that the large and negative Fermi contact term dominates this interaction.
KEY WORDS 'J(15N' 3C) values para-Substituted benzenediazonium ions Resonance forms