Quantum Tunneling Effects in the Fluxional Armilenyl Cation

2025/11/27 by Sindy Julieth Rodríguez, Sebastian Kozuch · 1 voice
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Astrophysics and Star Formation Studies #Degenerate energy levels #Inorganic Fluorides and Related Compounds #Quantum #Quantum system #Quantum tunnelling #Scale (ratio)

paper · doi:10.1021/acs.jpca.5c07382

openalex publication_date 2025/11/27 · openalex created_date 2025/11/28 · openalex updated_date 2026/08/01

Abstract

) 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.

Citations

• Generalized Gradient Approximation Made Simple
• How small can a catenane be, if we consider quantum tunnelling?

Discussions

• When all the carbons are indistinguishable because they interconvert through 👻ℚ𝕦𝕒𝕟𝕥𝕦𝕞 𝕋𝕦𝕟𝕟𝕖𝕝𝕚𝕟𝕘👻 Meet my new friend, the Armilenyl cation: doi.org/10.1021/acs.... [bsky, 6 points, 0 comments]

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