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

Abstract

When using neutron scattering and ab initio simulations, we document the discovery of a new “quantum tunneling state” of the water molecule confined in 5 Å 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. Additionally, the water proton momentum distribution was measured with deep inelastic neutron scattering, which directly revealed coherent delocalization of the protons in the ground state.

Authors:
 [1];  [2];  [3];  [1];  [1];  [1];  [1];  [4];  [1];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Univ. of Houston, TX (United States)
  3. Lake Washington Inst. of Technology, Kirkland, WA (United States); Univ. of Washington, Bothell, WA (United States)
  4. ISIS Facility, Didcot (United Kingdom)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1248795
Alternate Identifier(s):
OSTI ID: 1249686
Grant/Contract Number:  
AC05-00OR22725; 4000127504; 6400012674; 66-1283
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 116; Journal Issue: 16; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats

Kolesnikov, Alexander I., Reiter, George F., Choudhury, Narayani, Prisk, Timothy R., Mamontov, Eugene, Podlesnyak, Andrey, Ehlers, George, Seel, Andrew G., Wesolowski, David J., and Anovitz, Lawrence M. Quantum Tunneling of Water in Beryl. A New State of the Water Molecule. United States: N. p., 2016. Web. doi:10.1103/PhysRevLett.116.167802.
Kolesnikov, Alexander I., Reiter, George F., Choudhury, Narayani, Prisk, Timothy R., Mamontov, Eugene, Podlesnyak, Andrey, Ehlers, George, Seel, Andrew G., Wesolowski, David J., & Anovitz, Lawrence M. Quantum Tunneling of Water in Beryl. A New State of the Water Molecule. United States. https://doi.org/10.1103/PhysRevLett.116.167802
Kolesnikov, Alexander I., Reiter, George F., Choudhury, Narayani, Prisk, Timothy R., Mamontov, Eugene, Podlesnyak, Andrey, Ehlers, George, Seel, Andrew G., Wesolowski, David J., and Anovitz, Lawrence M. 2016. "Quantum Tunneling of Water in Beryl. A New State of the Water Molecule". United States. https://doi.org/10.1103/PhysRevLett.116.167802. https://www.osti.gov/servlets/purl/1248795.
@article{osti_1248795,
title = {Quantum Tunneling of Water in Beryl. A New State of the Water Molecule},
author = {Kolesnikov, Alexander I. and Reiter, George F. and Choudhury, Narayani and Prisk, Timothy R. and Mamontov, Eugene and Podlesnyak, Andrey and Ehlers, George and Seel, Andrew G. and Wesolowski, David J. and Anovitz, Lawrence M.},
abstractNote = {When using neutron scattering and ab initio simulations, we document the discovery of a new “quantum tunneling state” of the water molecule confined in 5 Å 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. Additionally, the water proton momentum distribution was measured with deep inelastic neutron scattering, which directly revealed coherent delocalization of the protons in the ground state.},
doi = {10.1103/PhysRevLett.116.167802},
url = {https://www.osti.gov/biblio/1248795}, journal = {Physical Review Letters},
issn = {0031-9007},
number = 16,
volume = 116,
place = {United States},
year = {Fri Apr 22 00:00:00 EDT 2016},
month = {Fri Apr 22 00:00:00 EDT 2016}
}

Journal Article:

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Cited by: 80 works
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