Dark-State-Mediated Low-Energy Electron Attachment to Molecular Oxygen: Symmetry Adapted Decomposition of the DEA Resonance through Dyson-Orbitals' Incoherent Mixing.
- 1Department of Physics, Indian Institute of Science Education and Research, Kolkata741246, India.
- 2University of Kassel, Institute of Physics , Heinrich-Plett-Str. 40, 34132Kassel, Germany.
- 3Department of Chemistry, Ashoka University, Sonipat131029, India.
Abstract
Dissociative electron attachment (DEA) to O2 exhibits a prominent resonance peak at ∼6.5 eV, producing O- with a single kinetic energy band (∼1.5 eV) and a distinct four-lobed angular distribution. Using velocity-map imaging and complex absorbing potential equation-of-motion electron-attachment coupled-cluster singles and doubles (CAP-EOM-EA-CCSD) calculations, we notice that this resonance is mediated by electron-impact excitation to the optically dark a1Δg and b1Σg+ states, which suggests electron impact excitation to these optically dark excited states provides an appropriate electronic structure for electron attachment forming 2Πu, 2Πg and 2,4Σu Feshbach resonances. The measured angular distribution is reproduced by an incoherent superposition of three symmetry channels: 2Πu (66.5%); 2Πg (25.1%); and 2,4Σu (8.5%). The Dyson orbitals computed from the CAP-EOM-EA-CCSD calculations quantitatively reproduce the channel weights and their energy dependencies. This dark-state-mediated mechanism pinpointedly resolves the experimental observations and provides a general symmetry-adapted framework for decomposing DEA resonances from the fragmented anions angular distributions.
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BibTeX
@article{kundu2026darkstatemediated,
title = {{Dark-State-Mediated Low-Energy Electron Attachment to Molecular Oxygen: Symmetry Adapted Decomposition of the DEA Resonance through Dyson-Orbitals' Incoherent Mixing.}},
author = {Narayan Kundu and Ayan Bhowmick and Aryya Ghosh and Dhananjay Nandi and Sourav Pal},
journal = {The journal of physical chemistry letters},
year = {2026},
month = oct,
doi = {10.1021/acs.jpclett.6c02057},
url = {https://europepmc.org/article/MED/42910964},
note = {CC BY},
}
RIS
TY - JOUR
TI - Dark-State-Mediated Low-Energy Electron Attachment to Molecular Oxygen: Symmetry Adapted Decomposition of the DEA Resonance through Dyson-Orbitals' Incoherent Mixing.
AU - Narayan Kundu
AU - Ayan Bhowmick
AU - Aryya Ghosh
AU - Dhananjay Nandi
AU - Sourav Pal
PY - 2026
DA - 2026/10/01
JO - The journal of physical chemistry letters
DO - 10.1021/acs.jpclett.6c02057
UR - https://europepmc.org/article/MED/42910964
AB - Dissociative electron attachment (DEA) to O2 exhibits a prominent resonance peak at ∼6.5 eV, producing O- with a single kinetic energy band (∼1.5 eV) and a distinct four-lobed angular distribution. Using velocity-map imaging and complex absorbing potential equation-of-motion electron-attachment coupled-cluster singles and doubles (CAP-EOM-EA-CCSD) calculations, we notice that this resonance is mediated by electron-impact excitation to the optically dark a1Δg and b1Σg+ states, which suggests electron impact excitation to these optically dark excited states provides an appropriate electronic structure for electron attachment forming 2Πu, 2Πg and 2,4Σu Feshbach resonances. The measured angular distribution is reproduced by an incoherent superposition of three symmetry channels: 2Πu (66.5%); 2Πg (25.1%); and 2,4Σu (8.5%). The Dyson orbitals computed from the CAP-EOM-EA-CCSD calculations quantitatively reproduce the channel weights and their energy dependencies. This dark-state-mediated mechanism pinpointedly resolves the experimental observations and provides a general symmetry-adapted framework for decomposing DEA resonances from the fragmented anions angular distributions.
SN - 1948-7185
ER -