Observation of Resonant Tunneling from Molecular Shape into Vibronic Feshbach Resonances Followed by Mode-Specific Fragmentation
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arXiv
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| Autori principali: | , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2025
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| _version_ | 1866916716049596416 |
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| author | Kundu, Narayan Rana, Meenakshi Ghosh, Aryya Nandi, Dhananjay |
| author_facet | Kundu, Narayan Rana, Meenakshi Ghosh, Aryya Nandi, Dhananjay |
| contents | We present a kinematically complete study of dissociative electron attachment (DEA) in linear OCS molecules, focusing on how electrons resonantly attach and trigger dissociation. Near the Franck-Condon regime, DEA is dominated by molecular shape resonances, where transient OCS$^-$ states form with high vibrational amplitudes, spectroscopically evident as broad features in DEA cross-sections. As the electron beam energy increases from 5.5 to 6.0 eV, S$^-$ population shifts from lower to higher-energy highly dense bending vibrational states, reinforcing our findings on dipole-forbidden vibronic intensity borrowing. Our advanced potential energy curve calculations, employing the Equation-of-motion coupled cluster singles and doubles for electron attachment (EA-EOMCCSD) method, reveal that beyond the shape resonance, non-adiabatic resonant tunneling governs the avoided crossings, dynamically generating three mode-specific vibronic Feshbach resonances before complete dissociation into three distinct kinetic energy bands of S$^-$. Our theoretical results probe most of the experimental observations quantitatively and qualitatively. These insights deepen our fundamental understanding of resonance-mediated dissociation in electron-molecule resonant scattering, with broader implications for quantum mechanics, plasma physics, vibrational revival, astrochemistry, and radiation damage research. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2505_00532 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Observation of Resonant Tunneling from Molecular Shape into Vibronic Feshbach Resonances Followed by Mode-Specific Fragmentation Kundu, Narayan Rana, Meenakshi Ghosh, Aryya Nandi, Dhananjay Atomic and Molecular Clusters Chemical Physics Quantum Physics We present a kinematically complete study of dissociative electron attachment (DEA) in linear OCS molecules, focusing on how electrons resonantly attach and trigger dissociation. Near the Franck-Condon regime, DEA is dominated by molecular shape resonances, where transient OCS$^-$ states form with high vibrational amplitudes, spectroscopically evident as broad features in DEA cross-sections. As the electron beam energy increases from 5.5 to 6.0 eV, S$^-$ population shifts from lower to higher-energy highly dense bending vibrational states, reinforcing our findings on dipole-forbidden vibronic intensity borrowing. Our advanced potential energy curve calculations, employing the Equation-of-motion coupled cluster singles and doubles for electron attachment (EA-EOMCCSD) method, reveal that beyond the shape resonance, non-adiabatic resonant tunneling governs the avoided crossings, dynamically generating three mode-specific vibronic Feshbach resonances before complete dissociation into three distinct kinetic energy bands of S$^-$. Our theoretical results probe most of the experimental observations quantitatively and qualitatively. These insights deepen our fundamental understanding of resonance-mediated dissociation in electron-molecule resonant scattering, with broader implications for quantum mechanics, plasma physics, vibrational revival, astrochemistry, and radiation damage research. |
| title | Observation of Resonant Tunneling from Molecular Shape into Vibronic Feshbach Resonances Followed by Mode-Specific Fragmentation |
| topic | Atomic and Molecular Clusters Chemical Physics Quantum Physics |
| url | https://arxiv.org/abs/2505.00532 |