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Behavior of H2O molecules in the channels of natrolite and scolecite: A Raman and IR spectroscopic investigation of hydrous microporous silicates

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Published/Copyright: March 31, 2015
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American Mineralogist
From the journal American Mineralogist Volume 91 Issue 7

Abstract

Single-crystal polarized Raman spectra (80 to 4000 cm-1 at 4 ≤ T ≤ 700 K) and powder IR spectra (1500 to 4000 cm-1 at 50 < T < 300 K) were measured for two microporous zeolites natrolite, Na16[Al16Si24O80]·16H2O, and scolecite, Ca8[Al16Si24O80]·24H2O to determine the behavior of H2O molecules in the channels. Both IR and Raman spectra show intense O-H stretching and H2O bending modes derived from the hydrogen-bonded H2O molecule(s) in the channels. Using published crystal structural data for natrolite and scolecite, and a consideration of Raman mode intensities that are sensitive to the H2O orientation in the framework channels, the internal stretching and bending modes could be assigned. The Raman spectra also show lower energy lattice modes and, in addition, second-order scattering in the wavenumber range where O-H stretching vibrations occur. The stretching vibrations of H2O molecules of natrolite and scolecite are located between 3200 and 3700 cm-1 and bending vibrations occur around 1650 cm-1. In the case of natrolite, two intense O-H stretching modes can be observed and also several weaker combination modes. The latter was used to derive a low energy external H2O translational vibration, T(H2O), which is also observed directly in single-crystal Raman spectra. In addition, two H2O librational modes are located at about 440 and 500 cm-1. For scolecite, six O-H stretching modes are observed in the Raman spectra recorded at 4 K, but only five are found at room temperature in the IR or Raman. The single-crystal Raman spectra also show several second-order combination modes consisting of external and internal H2O vibrations. They permit the wavenumber of several T(H2O) modes at low wavenumbers to be determined. These combination bands are analyzed based on their temperature behavior between 0 and 300 K. It is shown that the wavenumber of the H2O bending modes decreases with an increase of the H-O-H angle of the H2O molecule in natrolite and scolecite. The dehydration behavior of H2O in natrolite and scolecite was investigated by Raman measurements of the intensities of the O-H stretching modes at temperatures from 300 K to 570 K and 720 K, respectively. IR and Raman spectra, obtained over a large temperature range, permit one to obtain a better understanding of inner surface H2O-molecule behavior in microporous silicates and energetics and the behavior of hydrogen bonding.

Keywords : Raman spectroscopy; IR spectroscopy; natrolite; scolecite; microporous materials; Hydrogen bonding; zeolites; H2O molecules
Received: 2005-7-29
Accepted: 2005-12-10
Published Online: 2015-3-31
Published in Print: 2006-7-1

© 2015 by Walter de Gruyter Berlin/Boston

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https://doi.org/10.2138/am.2006.2049
Keywords for this article
Raman spectroscopy; IR spectroscopy; natrolite; scolecite; microporous materials; Hydrogen bonding; zeolites; H2O molecules

Articles in the same Issue

  1. The origin of jadeitite-forming subduction-zone fluids: CL-guided SIMS oxygen-isotope and trace-element evidence
  2. Mineralogical characterization of the blue pigment of Michelangelo's fresco “The Last Judgment”
  3. Microstructure and magnetism in the ilmenite-hematite solid solution: A Monte Carlo simulation study
  4. Enhanced mass transfer through short-circuit diffusion: Growth of garnet reaction rims at eclogite facies conditions
  5. Behavior of H2O molecules in the channels of natrolite and scolecite: A Raman and IR spectroscopic investigation of hydrous microporous silicates
  6. Sound velocities and elastic constants of ZnAl2O4 spinel and implications for spinel-elasticity systematics
  7. The role of water in the synthesis of glaucophane
  8. On the connected porosity of mineral aggregates in crystalline rocks
  9. The reaction talc + forsterite = enstatite + H2O revisited: Application of conventional and novel experimental techniques and derivation of revised thermodynamic properties
  10. Ba(NpO2)(PO4)(H2O), its relationship to the uranophane group, and implications for Np incorporation in uranyl minerals
  11. High-pressure phase transitions and hydrogen incorporation into MgSiO3 enstatite
  12. High-pressure Raman spectroscopic studies of hydrous wadsleyite II
  13. Carbonate reduction by Fe-S-O melts at high pressure and high temperature
  14. Cancrinite: Crystal structure, phase transitions, and dehydration behavior with temperature
  15. On the structure of palygorskite by mid- and near-infrared spectroscopy
  16. Free energy of formation of zircon and hafnon
  17. In-situ AFM study of smectite dissolution under alkaline conditions at room temperature
  18. Angular dependence of potassium K-edge XANES spectra of trioctahedral micas: Significance for the determination of the local structure and electronic behavior of the interlayer site
  19. Mössbauer characterization of upper mantle ferrikaersutite
  20. The crystal structure of piergorite-(Ce), Ca8Ce2(Al0.5 Fe3+ 0.5)Σ1(□,Li,Be)2Si6B8O36(OH,F)2: A new borosilicate from Vetralla, Italy, with a modified hellandite-type chain
  21. Native gold and native copper grains enclosed by olivine phenocrysts in a picrite lava of the Emeishan large igneous province, SW China
  22. Comprehensive chemical analyses of a cordierite from Kiranur, South India, and of an ilvaite from Serifos, Greece: Two new microprobe reference samples
  23. Vibrational spectroscopy of brucite: A molecular simulation investigation
  24. Letter. Terrestrial analogs of martian sulfates: Major and minor element systematics of alunite-jarosite from Goldfield, Nevada
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