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Dettagli Bibliografici
Autori principali: Coudert, Laurent H., Pirali, Olivier, Martin-Drumel, Marie-Aline, Chahbazian, Rosemonde, Zou, Luyao, Motiyenko, Roman A., Margulès, Laurent
Natura: Preprint
Pubblicazione: 2025
Soggetti:
Accesso online:https://arxiv.org/abs/2504.10144
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Sommario:
  • Open-shell non-rigid molecular systems exhibiting an internal rotation are likely candidates for a coupling between the spin angular momentum of the unpaired electron and the torsional motion. This electron spin-torsion coupling lacked both an experimental validation and a theoretical modeling. Here, the first experimental observation of the electron spin-torsion coupling is reported analyzing the pure rotational spectrum at millimeter wavelengths of the CH$_3$CO radical, a $^2Σ$ open-shell molecule displaying an internal rotation of its methyl group. To account for this coupling, a specific Hamiltonian incorporating the rotational, torsional, and electronic degrees of freedom is developed and allows us to reproduce the experimental spectrum. The present demonstration of the electron spin-torsion coupling will undoubtedly be key to future investigations of large open-shell molecules exhibiting a complex internal dynamics.