Geometrical substituent parameters for benzene derivatives: inductive and resonance effects
โ Scribed by Aldo Domenicano; Peter Murray-Rust
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- French
- Weight
- 231 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0040-4039
No coin nor oath required. For personal study only.
โฆ Synopsis
A full set of geometrical parameters describing the effect of 21 substituents on the internal angles of the benzene ring has been derived by linear regression from many structural results. The parameters are shown to reflect the inductive and resonance effects of the substituents.
๐ SIMILAR VOLUMES
The geometrical parameters for benzene, fluorobenzene, and cyanobenzene have been calculated using the 6-31G\*(5D) and 6-31G\*\* basis sets, and, in addition, the 6-31 + G\*(5D) basis set in the case of fluorobenzene. Compared to previous results obtained using the 6-31G basis set there are minor ch