Steric inhibition of resonance: a revision and quantitative estimation on the basis of aromatic carboxylic acids
1.
SYSNO ASEP
0193875
Document Type
J - Journal Article
R&D Document Type
Journal Article
Subsidiary J
Ostatní články
Title
Steric inhibition of resonance: a revision and quantitative estimation on the basis of aromatic carboxylic acids
Author(s)
Böhm, S. (CZ) Exner, Otto (UOCHB-X)
Source Title
Chemistry - A European Journal. - : Wiley
- ISSN 0947-6539
Roč. 6, č. 18 (2000), s. 3391-3398
Number of pages
8 s.
Language
eng - English
Country
DE - Germany
Subject RIV
CC - Organic Chemistry
R&D Projects
GA203/99/1454 GA ČR - Czech Science Foundation (CSF)
CEZ
AV0Z4055905 - UOCHB-X
Annotation
The concepts of steric inhibition of resonance (SIR) and primary steric effect were revised with the aid of methyl-substituted benzoic acids. The guantum chemical model was based on the energies of various conformations, calculated at the RHF levels. Even when the nonplanar conformation is proven, SIR need not be responsible for the acidic and basic properties.
