Brønsted basicity in the context of protonation-induced rearrangement
Abstract G4 ab initio calculations have been used to discuss the basicity of ring-strained molecules in order to separate true basicity from stabilization by rearrangement. Proton affinity (gas phase) must respect two rules: microscopic reversibility and absence of bond breaking.
Authors
- Ibon Alkorta
- José Elguero
Institutions
- Instituto de Química Médica (ES)
Publication Details
- Journal
- Pure and Applied Chemistry
- Published
- 2026-02-11
- DOI
- https://doi.org/10.1515/pac-2025-0698
- Primary Topic
- Chemical Reaction Mechanisms
- Type
- article
- Field-Weighted Citation Impact
- 0.00