Volume 33 Issue 2
Apr 2019
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JIANG Shuqing, YANG Xue, WANG Yu, ZHANG Xiao, CHENG Peng. Symmetrization and Chemical Precompression Effect of Hydrogen-Bonds in H2-H2O System[J]. Chinese Journal of High Pressure Physics, 2019, 33(2): 020102. doi: 10.11858/gywlxb.20190730
Citation: JIANG Shuqing, YANG Xue, WANG Yu, ZHANG Xiao, CHENG Peng. Symmetrization and Chemical Precompression Effect of Hydrogen-Bonds in H2-H2O System[J]. Chinese Journal of High Pressure Physics, 2019, 33(2): 020102. doi: 10.11858/gywlxb.20190730

Symmetrization and Chemical Precompression Effect of Hydrogen-Bonds in H2-H2O System

doi: 10.11858/gywlxb.20190730
Funds:  National Natural Science Foundation of China (21473211, 11674330, 11604342, 11504382, 51727806); Science Challenge Project (TZ2016001)
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  • Author Bio:

    JIANG Shuqing (1987-), Ph.D, major in high-energy material synthesis under extreme high-temperature and high-pressure conditions. E-mail: jiangshuqing@issp.ac.cn

  • Received Date: 26 Feb 2019
  • Rev Recd Date: 21 Mar 2019
  • Publish Date: 25 Mar 2019
  • Hydrogen hydrate (H2-H2O) excited significant interest as an environmentally clean and efficient hydrogen storage material. Here we conducted a high-pressure experimental research on hydrogen hydrate combined with in-situ Raman spectroscopy and synchrotron X-ray diffraction measurements. Our results indicated that the cubic C2 phase with stoichiometry 1∶1 of H2 and H2O transformed to a new tetragonal phase C3 after packing more hydrogen molecules above 24.5 GPa. The structure of C3 was determined to be P41 with a 1∶2 ratio of H2O to H2, and could survive down to 8.6 GPa upon decompression. Two districted behaviors of guest hydrogen clusters were observed with increasing pressure. One showed blue-red frequency shift transition similarly as pure hydrogen, the other continuously blue-shifted to higher frequencies in the whole pressure range. Fermi resonance between the deformational mode and softened stretching mode was firstly detected, indicating that the hydrogen-bond was symmetrized at around 55 GPa. The complicated behaviors of hydrogen molecules and interactions with water molecules in hydrogen hydrate provided a different insight into the guest-host system under pressure.

     

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  • [1]
    WIGNER E, HUNTINGTON H B. On the possibility of a metallic modification of hydrogen [J]. The Journal of Chemical Physics, 1935, 3(12): 764–770. doi: 10.1063/1.1749590
    [2]
    ASHCROFT N W. Metallic hydrogen: a high-temperature superconductor? [J]. Physical Review Letters, 1968, 21: 1748–1749. doi: 10.1103/PhysRevLett.21.1748
    [3]
    BARBEE T W III, GARIA A, COHEN M. First-principles prediction of high-temperature superconductivity in metallic hydrogen [J]. Nature, 1989, 340: 369–371. doi: 10.1038/340369a0
    [4]
    CUDAZZO P, PROFETA G, SANNA A, et al. Ab initio description of high-temperature superconductivity in dense molecular hydrogen [J]. Physical Review Letters, 2008, 100(25): 257001. doi: 10.1103/PhysRevLett.100.257001
    [5]
    HUESTIS D L. Hydrogen collisions in planetary atmospheres, ionospheres, and magnetospheres [J]. Planetary and Space Science, 2008, 56(13): 1733–1743. doi: 10.1016/j.pss.2008.07.012
    [6]
    NELLIS W J. Unusual magnetic fields of uranus and neptune: metallic fluid hydrogen [J]. Modern Physics Letters B, 2015, 29(1): 1430018. doi: 10.1142/S021798491430018X
    [7]
    ASHCROFT N W. Hydrogen dominant metallic alloys: high temperature superconductors? [J]. Physical Review Letters, 2004, 92(18): 187002. doi: 10.1103/PhysRevLett.92.187002
    [8]
    MOHTADI R, ORIMO S. The renaissance of hydrides as energy materials [J]. Nature Reviews Materials, 2017, 2(3): 16091. doi: 10.1038/natrevmats.2016.91
    [9]
    VOS W L, FINGER L W, HEMLEY R J, et al. Novel H2-H2O clathrates at high pressures [J]. Physical Review Letters, 1993, 71(19): 3150. doi: 10.1103/PhysRevLett.71.3150
    [10]
    VOS W L, FINGER L W, HEMLEY R J, et al. Pressure dependence of hydrogen bonding in a novel H2O-H2 clathrate [J]. Chemical Physics Letters, 1996, 257: 524–530. doi: 10.1016/0009-2614(96)00583-0
    [11]
    MAO W L, MAO H K, GONCHAROV A F, et al. Hydrogen clusters in clathrate hydrate [J]. Science, 2002, 297: 2247–2249. doi: 10.1126/science.1075394
    [12]
    PATCHKOVSKII S, JOHN S T. Thermodynamic stability of hydrogen clathrates [J]. Proceedings of the National Academy of Sciences, 2003, 100(25): 14645–14650. doi: 10.1073/pnas.2430913100
    [13]
    MAO W L, MAO H K. Hydrogen storage in molecular compounds [J]. Proceedings of the National Academy of Sciences, 2004, 101(3): 708–710. doi: 10.1073/pnas.0307449100
    [14]
    LOKSHIN K A, ZHAO Y S, HE D W, et al. Structure and dynamics of hydrogen molecules in the novel clathrate hydrate by high pressure neutron diffraction [J]. Physical Review Letters, 2004, 93(12): 125503. doi: 10.1103/PhysRevLett.93.125503
    [15]
    MACHIDA S, HIRAI H, KAWAMURA T, et al. Structural changes of filled ice Ic structure for hydrogen hydrate under high pressure [J]. The Journal of Chemical Physics, 2008, 129(22): 224505. doi: 10.1063/1.3013440
    [16]
    MACHIDA S, HIRAI H, KAWAMURA T, et al. Structural changes and intermolecular interactions of filled ice Ic structure for hydrogen hydrate under high pressure [J]. Journal of Physics: Conference Series, 2010, 215: 012060. doi: 10.1088/1742-6596/215/1/012060
    [17]
    STROBEL T A, HESTER K C, KOH C A, et al. Properties of the clathrates of hydrogen and developments in their applicability for hydrogen storage [J]. Chemical Physics Letters, 2009, 478: 97–109. doi: 10.1016/j.cplett.2009.07.030
    [18]
    MACHIDA S, HIRAI H, KAWAMURA T, et al. Raman spectra for hydrogen hydrate under high pressure: intermolecular interactions in filled ice Ic structure [J]. Journal of Physics and Chemistry of Solids, 2010, 71: 1324–1328. doi: 10.1016/j.jpcs.2010.05.015
    [19]
    MACHIDA S, HIRAI H, KAWAMURA T, et al. Isotopic effect and amorphization of deuterated hydrogen hydrate under high pressure [J]. Physical Review B, 2011, 83: 144101. doi: 10.1103/PhysRevB.83.144101
    [20]
    STROBEL T A, SOMAYAZULU M, HEMLEY R J. Phase behavior of H2+H2O at high pressures and low temperatures [J]. The Journal of Physical Chemistry C, 2011, 115: 4898–4903. doi: 10.1021/jp1122536
    [21]
    BORSTAD G M, YOO C S. H2O and D2 mixtures under pressure: spectroscopy and proton exchange kinetics [J]. The Journal of Chemical Physics, 2011, 135(17): 174508. doi: 10.1063/1.3658485
    [22]
    EFIMCHENKOA V S, KUZOVNIKOVA M A, FEDOTOVA V K, et al. New phase in the water-hydrogen system [J]. Journal of Alloys and Compounds, 2011, 509(Suppl 2): S860–S863.
    [23]
    ZHANG J Y, KUO J L, IITAKA T. First principles molecular dynamics study of filled ice hydrogen hydrate [J]. The Journal of Chemical Physics, 2012, 137(8): 084505. doi: 10.1063/1.4746776
    [24]
    HIRAI H, KAGAWA S, TANAKA T, et al. Structural changes of filled ice Ic hydrogen hydrate under low temperatures and high pressures from 5 to 50 GPa [J]. The Journal of Chemical Physics, 2012, 137(7): 074505. doi: 10.1063/1.4746017
    [25]
    QIAN G R, LYAKHOV A O, ZHU Q, et al. Novel hydrogen hydrate structures under pressure [J]. Scientific Reports, 2014, 4: 5606.
    [26]
    SAUNDERS S R J, MONTEIRO M, RIZZO F. The oxidation behaviour of metals and alloys at high temperatures in atmospheres containing water vapour: a review [J]. Progress in Materials Science, 2008, 53(5): 775–837. doi: 10.1016/j.pmatsci.2007.11.001
    [27]
    MOSHARY F, CHEN N H, SILVERA I F. Pressure dependence of the vibron in H2, HD, and D2: implications for inter-and intramolecular forces [J]. Physical Review B, 1993, 48(17): 12613–12619. doi: 10.1103/PhysRevB.48.12613
    [28]
    DUAN D, LIU Y, TIAN F, et al. Pressure-induced metallization of dense (H2S)2 H2 with high-Tc superconductivity [J]. Scientific Reports, 2014, 4: 6968.
    [29]
    GONCHAROV A F, LOBANOV S S, PRAKAPENKA V B, et al. Stable high-pressure phases in the H-S system determined by chemically reacting hydrogen and sulfur [J]. Physical Review B, 2017, 95(14): 140101. doi: 10.1103/PhysRevB.95.140101
    [30]
    CHEN J, GONCHAROV A F, SHUKLA V, et al. Stability of Ar (H2)2 to 358 GPa [J]. Proceedings of the National Academy of Sciences, 2017, 114(14): 3596–3600. doi: 10.1073/pnas.1700049114
    [31]
    GONCHAROV A F, STRUZHKIN V V, MAO H K, et al. Raman spectroscopy of dense H2O and the transition to symmetric hydrogen bonds [J]. Physical Review Letters, 1999, 83(10): 1998–2001. doi: 10.1103/PhysRevLett.83.1998
    [32]
    PRUZAN P, WOLANIN E, GAUTHIER M, et al. Raman scattering and X-ray diffraction of ice in the megabar range: occurrence of a symmetric disordered solid above 62 GPa [J]. The Journal of Physical Chemistry B, 1997, 101(32): 6230–6233. doi: 10.1021/jp963182l
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