Quantum Tunneling Effects in the Fluxional Armilenyl Cation
Armilenyl cation (<b>C</b><sub>11</sub><b>H</b><sub>11</sub><sup><b>+</b></sup>) is a paradigmatic multiple-well degenerate fluxional carbocation, interconverting among 20 equivalent minima. In this work, we investigate the role of quantum tunneling in its rearrangement mechanism, which our results show fully governs it and enables rapid interconversion on the time scale of minutes at deep cryogenic temperatures.
Authors
- Sindy Julieth Rodríguez (ORCID: https://orcid.org/0000-0002-3820-4194)
- Sebastian Kozuch (ORCID: https://orcid.org/0000-0003-3070-8141)
Institutions
- Ben-Gurion University of the Negev (IL)
Publication Details
- Journal
- The Journal of Physical Chemistry A
- Published
- 2025-11-27
- DOI
- https://doi.org/10.1021/acs.jpca.5c07382
- Primary Topic
- Inorganic Fluorides and Related Compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00