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 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.
authors.affiliation: Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
authors.forename: Alexander I
authors.initials: AI
authors.lastname: Kolesnikov
authors.affiliation: Physics Department, University of Houston, Houston, Texas 77204, USA.
authors.forename: George F
authors.initials: GF
authors.lastname: Reiter
authors.affiliation: 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.
authors.forename: Narayani
authors.initials: N
authors.lastname: Choudhury
authors.affiliation: Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
authors.forename: Timothy R
authors.initials: TR
authors.lastname: Prisk
authors.affiliation: Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
authors.forename: Eugene
authors.initials: E
authors.lastname: Mamontov
authors.affiliation: Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
authors.forename: Andrey
authors.initials: A
authors.lastname: Podlesnyak
authors.affiliation: Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
authors.forename: George
authors.initials: G
authors.lastname: Ehlers
authors.affiliation: ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot OX11 0QX, United Kingdom.
authors.forename: Andrew G
authors.initials: AG
authors.lastname: Seel
authors.affiliation: Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
authors.forename: David J
authors.initials: DJ
authors.lastname: Wesolowski
authors.affiliation: Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
authors.forename: Lawrence M
authors.initials: LM
authors.lastname: Anovitz