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- Title
H<sub>2</sub> formation via non-Born-Oppenheimer hydrogen migration in photoionized ethane.
- Authors
Yang, Yizhang; Ren, Hao; Zhang, Ming; Zhou, Shengpeng; Mu, Xiangxu; Li, Xiaokai; Wang, Zhenzhen; Deng, Ke; Li, Mingxuan; Ma, Pan; Li, Zheng; Hao, Xiaolei; Li, Weidong; Chen, Jing; Wang, Chuncheng; Ding, Dajun
- Abstract
Neutral H2 formation via intramolecular hydrogen migration in hydrocarbon molecules plays a vital role in many chemical and biological processes. Here, employing cold target recoil ion momentum spectroscopy (COLTRIMS) and pump-probe technique, we find that the non-adiabatic coupling between the ground and excited ionic states of ethane through conical intersection leads to a significantly high yield of neutral H2 fragment. Based on the analysis of fingerprints that are sensitive to orbital symmetry and electronic state energies in the photoelectron momentum distributions, we tag the initial electronic population of both the ground and excited ionic states and determine the branching ratios of H2 formation channel from those two states. Incorporating theoretical simulation, we established the timescale of the H2 formation to be ~1300 fs. We provide a comprehensive characterization of H2 formation in ionic states of ethane mediated by conical intersection and reveals the significance of non-adiabatic coupling dynamics in the intramolecular hydrogen migration. Uncovering the mechanism behind neutral H2 formation from ionised hydrocarbon molecules still poses severe challenges. Here, based on the orbital fingerprints in the photoelectron momentum distributions, the authors were able to resolve the contributions of the ground and excited ionic states to the H2 formation channel.
- Subjects
CHEMICAL processes; MOMENTUM distributions; ETHANES; PUMP probe spectroscopy; BRANCHING ratios; HYDROGEN
- Publication
Nature Communications, 2023, Vol 14, Issue 1, p1
- ISSN
2041-1723
- Publication type
Article
- DOI
10.1038/s41467-023-40628-9