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Title:
Quantum Tunneling of Water in Beryl: A New State of the Water Molecule
Authors:
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.
Affiliation:
AA(Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA), AB(Physics Department, University of Houston, Houston, Texas 77204, USA), AC(Math and Science Division, Lake Washington Institute of Technology, Kirkland, Washington 98034, USA; School of Science, Technology, Engineering and Math, University of Washington, Bothell, Washington 98011, USA), AD(Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA), AE(Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA), AF(Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA), AG(Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA), AH(ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot OX11 0QX, United Kingdom), AI(Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA), AJ(Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA)
Publication:
Physical Review Letters, Volume 116, Issue 16, id.167802 (PhRvL Homepage)
Publication Date:
04/2016
Origin:
APS
Abstract Copyright:
2016: American Physical Society
DOI:
10.1103/PhysRevLett.116.167802
Bibliographic Code:
2016PhRvL.116p7802K

Abstract

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. 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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