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| Main Authors: | , , , , , |
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| Format: | Preprint |
| Published: |
2026
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2602.17325 |
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| _version_ | 1866915807223611392 |
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| author | Ali, Siddique Rana, Meeneskhi Ghosh, Soumya Kundu, Narayan Ghosh, Aryya Nandi, Dhananjay |
| author_facet | Ali, Siddique Rana, Meeneskhi Ghosh, Soumya Kundu, Narayan Ghosh, Aryya Nandi, Dhananjay |
| contents | Absolute cross sections for the formation of OH- from 2-propanol (CH3CH(OH)CH3) via dissociative electron attachment (DEA) are reported in the incident electron energy range of 3.5-13 eV. Four fragment anions are observed: OH-, C2H2O-, C2H4O-, and C3H7O-. The OH- yield exhibits a pronounced resonance centered at 8.2 eV together with a broader structure extending over the 8-10 eV region. Equation-of-Motion Coupled-Cluster (electron attached) calculations with Singles and Doubles combined with a Complex Absorbing Potential (CAP/EOM-EA-CCSD) assign this feature to a two-particle-one-hole (2p-1h) core-excited Feshbach resonance. Potential energy curves along the C-OH dissociation coordinate reveal that core-excited anion states in this energy range promote efficient cleavage of the hydroxyl group. Analysis of Dyson orbitals and resonance widths demonstrates that only states with repulsive antibonding sigma(C-OH) character and sufficiently long lifetimes contribute significantly to the observed OH- production. These results provide fundamental insight into the DEA dynamics of secondary alcohols and highlight the role of multi-electron-attached resonances in site-specific bond rupture induced by low-energy electrons. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2602_17325 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Formation of Hydroxyl Anion via a 2-Particle 1-Hole Feshbach Resonance in DEA to 2-Propanol: A Joint Experimental and Theoretical Study Ali, Siddique Rana, Meeneskhi Ghosh, Soumya Kundu, Narayan Ghosh, Aryya Nandi, Dhananjay Atomic Physics Quantum Physics Absolute cross sections for the formation of OH- from 2-propanol (CH3CH(OH)CH3) via dissociative electron attachment (DEA) are reported in the incident electron energy range of 3.5-13 eV. Four fragment anions are observed: OH-, C2H2O-, C2H4O-, and C3H7O-. The OH- yield exhibits a pronounced resonance centered at 8.2 eV together with a broader structure extending over the 8-10 eV region. Equation-of-Motion Coupled-Cluster (electron attached) calculations with Singles and Doubles combined with a Complex Absorbing Potential (CAP/EOM-EA-CCSD) assign this feature to a two-particle-one-hole (2p-1h) core-excited Feshbach resonance. Potential energy curves along the C-OH dissociation coordinate reveal that core-excited anion states in this energy range promote efficient cleavage of the hydroxyl group. Analysis of Dyson orbitals and resonance widths demonstrates that only states with repulsive antibonding sigma(C-OH) character and sufficiently long lifetimes contribute significantly to the observed OH- production. These results provide fundamental insight into the DEA dynamics of secondary alcohols and highlight the role of multi-electron-attached resonances in site-specific bond rupture induced by low-energy electrons. |
| title | Formation of Hydroxyl Anion via a 2-Particle 1-Hole Feshbach Resonance in DEA to 2-Propanol: A Joint Experimental and Theoretical Study |
| topic | Atomic Physics Quantum Physics |
| url | https://arxiv.org/abs/2602.17325 |