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H2 formation via non-Born-Oppenheimer hydrogen migration in photoionized ethane

Author

Listed:
  • Yizhang Yang

    (Jilin University)

  • Hao Ren

    (Shanxi University)

  • Ming Zhang

    (Peking University)

  • Shengpeng Zhou

    (Jilin University)

  • Xiangxu Mu

    (Peking University)

  • Xiaokai Li

    (Jilin University)

  • Zhenzhen Wang

    (Jilin University)

  • Ke Deng

    (Jilin University)

  • Mingxuan Li

    (Jilin University)

  • Pan Ma

    (Jilin University)

  • Zheng Li

    (Peking University
    Shanxi University
    Peking University Yangtze Delta Institute of Optoelectronics)

  • Xiaolei Hao

    (Shanxi University)

  • Weidong Li

    (Shenzhen Technology University)

  • Jing Chen

    (Shenzhen Technology University
    Department of Modern Physics, University of Science and Technology of China)

  • Chuncheng Wang

    (Jilin University)

  • Dajun Ding

    (Jilin University)

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.

Suggested Citation

  • Yizhang Yang & Hao Ren & Ming Zhang & Shengpeng Zhou & Xiangxu Mu & Xiaokai Li & Zhenzhen Wang & Ke Deng & Mingxuan Li & Pan Ma & Zheng Li & Xiaolei Hao & Weidong Li & Jing Chen & Chuncheng Wang & Daj, 2023. "H2 formation via non-Born-Oppenheimer hydrogen migration in photoionized ethane," Nature Communications, Nature, vol. 14(1), pages 1-8, December.
    • Handle: RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-40628-9
    DOI: 10.1038/s41467-023-40628-9
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    Cited by:

    1. Debadarshini Mishra & Aaron C. LaForge & Lauren M. Gorman & Sergio Díaz-Tendero & Fernando Martín & Nora Berrah, 2024. "Direct tracking of H2 roaming reaction in real time," Nature Communications, Nature, vol. 15(1), pages 1-8, December.

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