Observation of the Parity-Dependent Nonadiabatic Photodissociation of <i>trans</i> -HONO
Quantum state-resolved studies of molecular photodissociation provide an effective view of how electronic and nuclear motion conspire to break chemical bonds. Here, we use parity-resolved photofragment imaging of <i>trans</i>-HONO photodissociation to show how electronic symmetry actively steers intramolecular vibrational energy redistribution (IVR) at the moment of bond cleavage. By performing Λ-doublet-resolved detection of OH-(<i>X</i> <sup>2</sup>Π<sub>3/2</sub>, υ = 0, <i>J</i> = 3/2, 5/2, 7/2) with velocity-map ion imaging, we simultaneously determine the vibrational state distributions and angular distributions of the NO-(<i>X</i> <sup>2</sup>Π, υ) cofragment. The parity-resolved measurements reveal a striking correlation: one parity class of OH is strongly associated with highly excited NO-(υ = 2), whereas the opposite parity favors NO-(υ = 1). Analysis of the total kinetic energy release, together with ab initio potential energy and spin-orbit coupling calculations, shows that these propensities fingerprint two competing pathways on electronically distinct excited-state surfaces. A prompt, nearly adiabatic dissociation on an A″ surface preserves electronic symmetry and channels energy into a specific NO stretch, whereas nonadiabatic transfer to an A' surface enables electron-mediated IVR via the out-of-plane mode of <i>trans</i>-HONO. The <i>J</i> dependence of the parity-vibrational correlation further reveals near-resonant coupling between the N=O stretch and a combination band. Our results demonstrate that fragment parity can map electronic symmetry onto product energy flow, offering a general strategy for disentangling electronically mediated and near-resonant vibrational dynamics in complex photochemical reactions.
Authors
- D. S. N. Parker
- Xingan Wang (ORCID: https://orcid.org/0000-0001-5331-1070)
- Du Yuan (ORCID: https://orcid.org/0000-0003-1180-6627)
- Zhibing Lu
- Yuyang Zhang (ORCID: https://orcid.org/0000-0002-9548-0021)
- Siting Hou (ORCID: https://orcid.org/0009-0005-3497-5804)
- Y. Xie (ORCID: https://orcid.org/0000-0001-5012-4069)
- P. Wang
- Kaijun Yuan
- Xueming Yang
- Shihao Li
- Fan Li
- Rongjing Guo
- Fuyan Wu
Institutions
- University of Science and Technology of China (CN)
- Radboud University Nijmegen (NL)
- Dalian Institute of Chemical Physics (CN)
- Chinese Academy of Sciences (CN)
- Radboud University Medical Center (NL)
- Southern University of Science and Technology (CN)
- Hefei University (CN)
- Hefei National Center for Physical Sciences at Nanoscale (CN)
- Radboud Institute for Molecular Life Sciences (NL)
- Chemical Dynamics (United States) (US)
- Institute of Modern Physics (CN)
- State Key Laboratory of Chemical Engineering (CN)
Publication Details
- Journal
- JACS Au
- Published
- 2026-03-08
- DOI
- https://doi.org/10.1021/jacsau.5c01716
- Primary Topic
- Laser-Matter Interactions and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00