Abstract
This paper presents the results of Fourier transform infrared (FTIR) spectroscopy of a synthetic beryl, containing D2O molecules in its c-axis channels, which we synthesized under hydrothermal conditions at 600 °C and 1.5 kbar. The frequencies of absorbance bands in the range of the stretching vibrations and their overtones and combination modes for D2O and HDO molecules have been assigned for the first time. On the basis of our assignments, the absorbance bands observed for the natural beryl in the range of the OD stretching vibrations have been explained.
Acknowledgments
We thank Ian Swainson and three reviewers for their fruitful comments. The authors thank O.A. Kozmenko for chemical analyses and I.N. Kupriyanov for FTIR spectra measurements. The synthesis of beryl crystals was carried out on the equipment, kindly provided by the firm TAIRUS (Novosibirsk, Russia). The research was supported by the Russian Foundation for Basic Research (Grant 14-02-00255) and by the Russian Ministry of Education and Science (Program “5top100”).
References cited
Adamo, I., Gatta, G.D., Rotiroti, N., Della, V., and Pavese, A. (2008) Gemmological investigation of a synthetic blue beryl: a multi-methological study. Mineralogical Magazine, 72, 799–808.10.1180/minmag.2008.072.3.799Search in Google Scholar
Aines, R.D., and Rossman, G.R. (1984) The high temperature behavior of water and carbon dioxide in cordierite and beryl. American Mineralogist, 69, 319–327.Search in Google Scholar
Aurisicchio, A., Grubessi, O., and Zecchini, P. (1994) Infrared spectroscopy and crystal chemistry of the beryl group. Canadian Mineralogist, 32, 55–68.Search in Google Scholar
Bellatreccia, F., Della Ventura, G., Piccinini, M., and Grubessi, O. (2008) Singlecrystal polarized-light FTIR study of an historical synthetic water-poor emerald. Neues Jahrbuch für Mineralogie Abhandlungen, 185, 11–16.10.1127/0077-7757/2008/0115Search in Google Scholar
Cammarata, L., Kazarian, S.G., Salter, P.A., and Welton, T. (2001) Molecular states of water in room temperature ionic liquids. Physical Chemistry Chemical Physics, 3, 5192–5200.10.1039/b106900dSearch in Google Scholar
Charoy, B., De Donato, P., Barres, O., and Pinto-Coelho, C. (1996) Channel occupancy in an alkali-poor beryl from Serra Branca (Goias, Brazil): Spectroscopic characterization. American Mineralogist, 81, 395–403.10.2138/am-1996-3-414Search in Google Scholar
Damon, P.E., and Kulp, J.L. (1958) Excess helium and argon in beryl and other minerals. American Mineralogist, 43, 433–459.Search in Google Scholar
De Donato, P., Cheiletz, A., Barres, O., and Yvon, J. (2004) Infrared spectroscopy of OD vibrators in minerals at natural dilution: Hydroxyl groups in talc and kaolinite, and structural water in beryl and emerald. Journal of Applied Spectroscopy, 58, 521–527.10.1366/000370204774103336Search in Google Scholar PubMed
Della Ventura, G., Bellatreccia, F., and Rossi, P. (2007) The single-crystal, polarized-light, FTIR spectrum of stoppaniite, the Fe analog of beryl. Physics and Chemistry of Minerals, 34, 727–731.10.1007/s00269-007-0190-6Search in Google Scholar
Della Ventura, G., Radica, F., Bellatreccia, F., Freda, C., and Cestelli Guidi, M. (2015) Speciation and diffusion profiles of H2O in water-poor beryl: comparison with cordierite. Physics and Chemistry of Minerals, 42, 735–745.10.1007/s00269-015-0758-5Search in Google Scholar
Fukuda, J., and Shinoda, K. (2008) Coordination of water molecules with Na+ cations in a beryl channel as determined by polarized IR spectroscopy. Physics and Chemistry of Minerals, 35, 347–357.10.1007/s00269-008-0228-4Search in Google Scholar
Gorshunov, B.P., Zhukova, E.S., Torgashev, V.I., Lebedev, V.V., Shakurov, G.S., Kremer, R.K., Pestrjakov, E.V., Thomas, V.G., Fursenko, D.A., Prokhorov, A.S., and Dressel, M. (2013) Quantum behavior of water molecules confined to nanocavities in gemstones. Journal of Physical Chemistry Letters, 4, 2015–2020.10.1021/jz400782jSearch in Google Scholar PubMed
Halonen, L., and Carrington, T. (1988) Fermi resonances and local modes in water, hydrogen sulfide, and hydrogen selenide. Journal of Chemical Physics, 88, 4171–4185.10.1063/1.453824Search in Google Scholar
Kolesov, B.A., and Geiger, C.A. (2000) The orientation and vibrational states of H2O in synthetic alkali-free beryl. Physics and Chemistry of Minerals, 27, 557–564.10.1007/s002690000102Search in Google Scholar
Lee, H.M., Tarakeshwar, P., Parl, J., Kolaski, M.R., Yoon, Y.J., Yi, H.-B., Kim, W.Y., and Kim, K.S. (2004) Insights into the structure, energetic, and vibrations of monovalent cation-(water)1-6 clusters. Journal of Physical Chemistry A, 108, 2949–2958.10.1021/jp0369241Search in Google Scholar
Lisy, J.M. (1997) Spectroscopy and structure of solvated alkli-metal ions. International Reviews in Physical Chemistry, 16, 267–289.10.1080/014423597230208Search in Google Scholar
Łodziński, M., Sitarz, M., Stec, K., Kozanecki, M., Fojud, Z., and Jurga, S. (2005) ICP, IR, Raman, NMR investigations of beryls from pegmatites of the Sudety Mts. Journal of Molecular Structure, 744–747, 1005–1015.10.1016/j.molstruc.2004.12.042Search in Google Scholar
Makreski, P., and Jovanvski, G. (2009) Minerals from Macedonia XXIII. Spectroscopic and structural characterization of schorl and beryl cyclosilicates. Spectrochimica Acta Part A: Molecular Spectroscopy, 73, 460–467.10.1016/j.saa.2008.07.011Search in Google Scholar PubMed
Manier-Glavinaz, V., Couty, R., and Lagache, M. (1989) The removal of alkalis from beryl: Structural adjustments. Canadian Mineralogist, 27, 663–671.Search in Google Scholar
Masaki, T., Nishikawa, K., and Shirota, H. (2010) Microscopic study of ionic liquid-H2O systems: Alkyl-group dependence of 1-alkyl-3-methylimidazolium cation. Journal of Physical Chemistry B, 114, 6323–6331.10.1021/jp1017967Search in Google Scholar PubMed
Mashkovtsev, R.I., and Smirnov, S.Z. (2004) The nature of channel constituents in hydrothermal synthetic emerald. Journal of Gemmology, 29, 215–227.10.15506/JoG.2004.29.4.215Search in Google Scholar
Mashkovtsev, R.I., and Solntsev, V.P. (2002) Channel constituents in synthetic beryl: ammonium Physics and Chemistry of Minerals, 29, 65–71.10.1007/s002690100206Search in Google Scholar
Mashkovtsev, R.I., and Thomas, V.G. (2005) Nitrogen atoms encased in cavities within the beryl structure as candidates for cubits. Applied Magnetic Resonance, 28, 401–409.10.1007/BF03166771Search in Google Scholar
Sherriff, B.L., Grundy, H.D., Hartman, J.F., Hawthorne, F.C., and Černý, P. (1991) The incorporation of alkalis in beryl: multi-nuclear MAS NMR and crystalstructure study. Canadian Mineralogist, 29, 271–285.Search in Google Scholar
Thomas, V.G., and Klyakhin, V.A. (1987) The specific features of beryl doping by chromium under hydrothermal conditions. In N.V. Sobolev, Ed., Mineral Forming in Endogenic Processes, 60–67. Nauka, Novosibirsk (in Russian).Search in Google Scholar
Vaden, T.D., Forinash, B., and Lisy, J.M. (2002) Rotational structure in the asymmetric OH stretch of Cs+(H2O)Ar. Journal of Chemical Physics, 117, 4628–4631.10.1063/1.1503310Search in Google Scholar
Wahler, W. (1956) Über die Kristallen eingeschlossenen Flussigkeiten und Gase. Geochimica et Cosmochimica Acta, 9, 105–135.10.1016/0016-7037(56)90064-3Search in Google Scholar
Wang, Z., Pakoulev, A., Pang, Y., and Dlott, D.D. (2004) Vibrational substructure in the OH stretching transition of water and HOD. Journal of Physical Chemistry, 108, 9054–9063.10.1021/jp048545tSearch in Google Scholar
Wood, D.L., and Nassau, K. (1967) Infrared spectra of foreign molecules in beryl. Journal of Chemical Physics, 47, 2220–2228.10.1063/1.1703295Search in Google Scholar
Zhukova, E.S., Torgashev, V.I., Gorshunov, B.P., Lebedev, V.V., Shakurov, G.S., Kremer, R.K., Pestrjakov, E.V., Thomas, V.G., Fursenko, D.A., Prokhorov, A.S., and Dressel, M. (2014) Vibrational states of a water molecule in a nano-cavity of beryl crystal lattice. Journal of Chemical Physics, 140, 224317.10.1063/1.4882062Search in Google Scholar PubMed
Zimmerman, J.L., Giuliani, G., Cheiletz, A., and Arboleda, C. (1997) Mineralogical significance of fluids in channels of Colombian emeralds: a mass-spectrometric study. International Geology Review, 39, 425–437.10.1080/00206819709465281Search in Google Scholar
Zwaan, J.C., Jacob, D.E., Häger, T., Neto, M.T.O.C., and Kanis, J. (2012) Emeralds from the Fazenda region, Rio Grande do Norte, Brazil. Gems and Gemology, 48, 2–17.10.5741/GEMS.48.1.2Search in Google Scholar
Manuscript handled by Ian Swainson.
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