Quantum behaviour of water molecule in gemstone: terahertz fingerprints

2nd Russia-Japan-USA Symposium on the Fundamental and Applied Problems of Terahertz Devices and Technologies

Zhukova, Elena S.^1,2,3 ; Gorshunov, Boris P.^1,2,3 ; Torgashev, Victor I^4 ; Lebedev, Vladimir V.^2,5 ; Shakurov, Gil'Man S.^6 ; Kremer, Reinhard K.^7 ; Pestrjakov, Efim V.^8 ; Thomas, Victor G.^8 ; Fursenko, Dimitry A.^8 ; Dressel, Martin^2

A M Prokhorov General Physics Institute, Russian Academy of Sciences, Russia^1

Physikalisches Institut, Universität Stuttgart, Germany^2

Moscow Institute of Physics and Technology, Russia^3

Faculty of Physics, Southern Federal University, Russia^4

Landau Institute for Theoretical Physics, Russian Academy of Sciences, Russia^5

Kazan Physical-Technical Institute, Russian Academy of Sciences, Russia^6

Max-Planck-Institut für Festkörperforschung, Germany^7

Institute of Laser Physics, Russian Academy of Sciences, Russia^8

关键词: Complicated systems;    Interfacial water;    Librational bands;    Molecular clusters;    Potential relief;    Six fold symmetry;    Vibrational state;    Weak interactions;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/486/1/012019/pdf
DOI  :  10.1088/1742-6596/486/1/012019

来源: IOP

【 摘 要 】

We have shown that a weak interaction of a lone H2O molecule with the walls of nano-sized crystalline cage of gemstone (beryl) results in emergence of a rich set of molecular vibrational states. By analogy with translational and librational bands in liquid water and ice corresponding absorption bands are explained as due to translational (T) and librational (L) movements of the H2O molecule which is hydrogen bonded to the cage walls. In beryl crystal lattice, however, the six-fold symmetry of the cage brings about additional effect of splitting of the T and L bands into fine structure due to tunnelling within the six-well potential relief. The presented results will be of use for analysis of more complicated systems with confined water molecules like H2O chains in carbon nano-tubes, molecular clusters in e.g. zeolites, clays, silica gels and other natural or synthetic frameworks, as well as for interfacial water in biological systems.