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PreprintCC BY-NCChemRxiv

Quantum-Entangled Four-Proton Waltz of Anomalous Transport in Water Hydrogen Bond Network

  • Luhao Zhang1,2
  • Cui Zhang3,4,5,6
  • Yimin Zhang3,4,5,6,7,8
  • Shengjie Zhang3,4,5,6
  • Ying Jiang1,2,9,10
  • Xinzheng Li1,2,9
  • Sheng Meng3,4,5,6,11
  • Enge Wang1,2,3,4,9,10
11 affiliations
  1. 1International Center for Quantum Materials, School of Physics
  2. 2Peking University
  3. 3Beijing National Laboratory for Condensed Matter Physics and Institute of Physics
  4. 4Chinese Academy of Sciences
  5. 5School of Physical Sciences
  6. 6University of Chinese Academy of Sciences
  7. 7Key Laboratory of Material Physics, Ministry of Education, School of Physics
  8. 8Zhengzhou University
  9. 9Interdisciplinary Institute of Light-Element Quantum Materials and Research Centre for Light-Element Advanced Materials
  10. 10Tsientang Institute for Advanced Study
  11. 11Songshan Lake Materials Laboratory
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Abstract

Proton transfer mechanism along water hydrogen bond network lies in the fundamental question in chemical dynamics. The mechanism remains challenge due to nuclear quantization and many-body correlation. We develop a quantum dynamical model framework that treats electrons and multiple transferring protons on equal footing, and integrate it with isotope measurement by scanning tunneling microscopy of a surface‑bound water tetramer. The simulations reveal the importance of quantum correlation among stepwise electron–proton intermediate states, which quantum coherently drives a synchronized, concerted four‑proton switch between two chiral hydrogen‑bond configurations. Populations periodically decay from one chiral arrangement and reappear in the other, whose oscillation amplitude is strongly suppressed by modest symmetry breaking from isotopic substitution. This mechanism accounts for an anomalous isotope trend experimentally in which the low‑symmetry, singly deuterated tetramer (H2O)3(D2O) switches as slowly as the high‑symmetry, fully deuterated (D2O)4 that eludes semiclassical tunneling kinetics. The framework establishes a practical route to study multi-proton quantum correlation in hydrogen-bond networks on surfaces.

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Cite

BibTeXRIS
BibTeX
@misc{zhang2026quantumentangled,
  title = {{Quantum-Entangled Four-Proton Waltz of Anomalous Transport in Water Hydrogen Bond Network}},
  author = {Luhao Zhang and Cui Zhang and Yimin Zhang and Shengjie Zhang and Ying Jiang and Xinzheng Li and Sheng Meng and Enge Wang},
  howpublished = {ChemRxiv},
  year = {2026},
  month = oct,
  doi = {10.26434/chemrxiv.15010506/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010506/v1},
  note = {CC BY-NC},
}
RIS
TY  - UNPB
TI  - Quantum-Entangled Four-Proton Waltz of Anomalous Transport in Water Hydrogen Bond Network
AU  - Luhao Zhang
AU  - Cui Zhang
AU  - Yimin Zhang
AU  - Shengjie Zhang
AU  - Ying Jiang
AU  - Xinzheng Li
AU  - Sheng Meng
AU  - Enge Wang
PY  - 2026
DA  - 2026/10/15
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15010506/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010506/v1
AB  - Proton transfer mechanism along water hydrogen bond network lies in the fundamental question in chemical dynamics. The mechanism remains challenge due to nuclear quantization and many-body correlation. We develop a quantum dynamical model framework that treats electrons and multiple transferring protons on equal footing, and integrate it with isotope measurement by scanning tunneling microscopy of a surface‑bound water tetramer. The simulations reveal the importance of quantum correlation among stepwise electron–proton intermediate states, which quantum coherently drives a synchronized, concerted four‑proton switch between two chiral hydrogen‑bond configurations. Populations periodically decay from one chiral arrangement and reappear in the other, whose oscillation amplitude is strongly suppressed by modest symmetry breaking from isotopic substitution. This mechanism accounts for an anomalous isotope trend experimentally in which the low‑symmetry, singly deuterated tetramer (H2O)3(D2O) switches as slowly as the high‑symmetry, fully deuterated (D2O)4 that eludes semiclassical tunneling kinetics. The framework establishes a practical route to study multi-proton quantum correlation in hydrogen-bond networks on surfaces.
ER  -