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

Alexander I. Kolesnikov; George F. Reiter; Narayani Choudhury; Timothy R. Prisk; Eugene Mamontov; Andrey Podlesnyak; George Ehlers; Andrew G. Seel; David J. Wesolowski; Lawrence M. Anovitz

doi:10.1103/PhysRevLett.116.167802

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

Alexander I. Kolesnikov, George F. Reiter, Narayani Choudhury, Timothy R. Prisk, Eugene Mamontov, Andrey Podlesnyak, George Ehlers, Andrew G. Seel, David J. Wesolowski, Lawrence M. Anovitz

Geochemistry & Interfacial Science

Research output: Contribution to journal › Article › peer-review

101 Scopus citations

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.

Original language	English
Article number	167802
Journal	Physical Review Letters
Volume	116
Issue number	16
DOIs	https://doi.org/10.1103/PhysRevLett.116.167802
State	Published - Apr 22 2016

Funding

This material is primarily based upon work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. The neutron scattering experiments at Oak Ridge National Laboratorys Spallation Neutron Source were sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. The STFC Rutherford Appleton Laboratory is thanked for access to neutron beam facilities. Some of the beryl crystals used in our experiments were cut by Bradley S.AWilson of Coast-to-Coast Rarestones, International. N.C. also gratefully acknowledges research support from the University of Washington (DOE/UW Grants No.4000127504, No.6400012674; No.66-1283).

Funders	Funder number
Scientific User Facilities Division
U.S. Department of Energy
Office of Science
Basic Energy Sciences
University of Washington	4000127504, 6400012674
Chemical Sciences, Geosciences, and Biosciences Division

Access to Document

10.1103/PhysRevLett.116.167802

Cite this

@article{16aa4bdd54ba4db5a9b06b1b0ba121a6,

title = "Quantum Tunneling of Water in Beryl: A New State of the Water Molecule",

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 {\AA} 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.",

author = "Kolesnikov, {Alexander I.} and Reiter, {George F.} and Narayani Choudhury and Prisk, {Timothy R.} and Eugene Mamontov and Andrey Podlesnyak and George Ehlers and Seel, {Andrew G.} and Wesolowski, {David J.} and Anovitz, {Lawrence M.}",

note = "Publisher Copyright: {\textcopyright} 2016 American Physical Society.",

year = "2016",

month = apr,

day = "22",

doi = "10.1103/PhysRevLett.116.167802",

language = "English",

volume = "116",

journal = "Physical Review Letters",

issn = "0031-9007",

publisher = "American Physical Society",

number = "16",

}

TY - JOUR

T1 - Quantum Tunneling of Water in Beryl

T2 - A New State of the Water Molecule

AU - Kolesnikov, Alexander I.

AU - Reiter, George F.

AU - Choudhury, Narayani

AU - Prisk, Timothy R.

AU - Mamontov, Eugene

AU - Podlesnyak, Andrey

AU - Ehlers, George

AU - Seel, Andrew G.

AU - Wesolowski, David J.

AU - Anovitz, Lawrence M.

PY - 2016/4/22

Y1 - 2016/4/22

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=84964265809&partnerID=8YFLogxK

U2 - 10.1103/PhysRevLett.116.167802

DO - 10.1103/PhysRevLett.116.167802

M3 - Article

AN - SCOPUS:84964265809

SN - 0031-9007

VL - 116

JO - Physical Review Letters

JF - Physical Review Letters

IS - 16

M1 - 167802

ER -

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

Abstract

Funding

Access to Document

Other files and links

Fingerprint

Cite this