Abstract
The traditional and widespread rationale behind the stability trend of alkyl-substituted carbocations is incomplete. Through state-of-the-art quantum chemical analyses, we quantitatively established a generally overlooked driving force behind the stability of carbocations, namely, that the parent substrates are substantially destabilized by the introduction of substituents, often playing a dominant role in solution. This stems from the repulsion between the substituents and the C-X bond.
| Original language | English |
|---|---|
| Pages (from-to) | 12050-12053 |
| Number of pages | 4 |
| Journal | Chemical Communications |
| Volume | 58 |
| Issue number | 86 |
| DOIs | |
| Publication status | Published - 6 Oct 2022 |
| Externally published | Yes |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Catalysis
- Ceramics and Composites
- General Chemistry
- Surfaces, Coatings and Films
- Metals and Alloys
- Materials Chemistry