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Enhanced fragmentation of water dications upon high Rydberg states

  • Jiaqi Zhou,
  • Lu Wu,
  • Xintai Hao,
  • Xiaorui Xue,
  • Qingrui Zeng,
  • Qibo Ma,
  • Yongtao Zhao,
  • Xiaokai Li,
  • Lanhai He,
  • Sizuo Luo,
  • Chuncheng Wang,
  • Dajun Ding,
  • Xueguang Ren

摘要

The ionization and fragmentation of water are fundamental processes across numerous scientific and technological fields, yet the relaxation pathways of water dications-particularly the rare D+ + O+ + D channel-remain poorly understood. Here, we report enhanced fragmentation pathways within this channel induced by electron-impact. Using multi-particle coincidence momentum spectroscopy supported by electron-capture-mediated molecular dissociation calculations, we identify a Rydberg state-controlled fragmentation mechanism and resolve its ultrafast relaxation dynamics. Furthermore, we demonstrate that this mechanism also occurs in ammonia and strong-field ionization experiments. In the laser-induced processes, electron-recollision with the cation leads to additional ionization plus excitation into dicationic Rydberg states on a sub-cycle (~2 fs) timescale, effectively freezing nuclear motion. Our findings reveal a general molecular fragmentation pathway governed by high Rydberg states, providing a molecular clock to probe electron-nuclear coupling and offering new insights into water radiolysis.