Attempts have been made in recent years to correlate proton chemical shifts and charge densities in different series of compounds.' Mono substituted methanes and ethanes, ouing to their relatively simple electronic structure, seem to yield more useful information on the electronic mechanism involved
Proton chemical shift-charge density correlations for ortho positions in substituted benzenes.
✍ Scribed by P. Lazzeretti; F. Taddei
- Book ID
- 104248695
- Publisher
- Elsevier Science
- Year
- 1970
- Tongue
- French
- Weight
- 194 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0040-4039
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## Abstract The results of an MOLCAO calculation on both σ and π electron systems of several substituted benzenes are reported. The charge densities obtained reproduce the dipole moments of the molecules examined, provided that substituents with strong mesomeric effects are not present. It is shown