绿柱石中水分子的量子隧穿：水分子的一种新状态

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

作者信息

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

机构信息

Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.

Physics Department, University of Houston, Houston, Texas 77204, USA.

出版信息

Phys Rev Lett. 2016 Apr 22;116(16):167802. doi: 10.1103/PhysRevLett.116.167802.

DOI:10.1103/PhysRevLett.116.167802

PMID:27152824

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.

摘要

利用中子散射和从头算模拟，我们记录了在绿柱石矿物中5埃通道内受限水分子的一种新“量子隧穿态”的发现，其特征是质子和电子的离域扩展。我们在非弹性中子散射光谱中观察到一些峰，这些峰被独特地归因于水的量子隧穿。此外，通过深度非弹性中子散射测量了水质子动量分布，这直接揭示了基态质子的相干离域。