4.8 Article

Quantum Tunneling of Water in Beryl: A New State of the Water Molecule

Journal

PHYSICAL REVIEW LETTERS
Volume 116, Issue 16, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.116.167802

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Funding

  1. U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division
  2. Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy
  3. University of Washington (DOE/UW) [4000127504, 6400012674, 66-1283]
  4. U.S. Department of Energy [DE-AC05-00OR22725]

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Using neutron scattering and ab initio simulations, we document the discovery of a new quantum tunneling state of the water molecule confined in 5 angstrom channels in the mineral beryl, characterized by extended proton and electron delocalization. We observed a number of peaks in the inelastic neutron scattering spectra that were uniquely assigned to water quantum tunneling. In addition, the water proton momentum distribution was measured with deep inelastic neutron scattering, which directly revealed coherent delocalization of the protons in the ground state.

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