Non-bridging oxygen and high-coordinated aluminum in metaluminous and peraluminous calcium and potassium aluminosilicate glasses: High-resolution 17O and 27Al MAS NMR results

American Mineralogist

Volumn 96, Issue 5-6, 2011, Pages 841-853

  Thompson, Linda M ^a   Stebbins, Jonathan F ^a  

^a STANFORD UNIVERSITY   (United States)

Author keywords

Aluminosilicate glasses; Aluminum 27; High coordinated aluminum; NMR spectroscopy; Non bridging oxygen; Oxygen 17

Indexed keywords

ALUMINA; ALUMINOSILICATES; ALUMINUM METALLOGRAPHY; ALUMINUM OXIDE; GLASS; LIME; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXYGEN; POTASSIUM COMPOUNDS; SILICA; STRUCTURE (COMPOSITION);

ALUMINO-SILICATE MELTS; ALUMINOSILICATE GLASS; CALCIUM ALUMINOSILICATE GLASS; LIMIT OF DETECTION; NON-BRIDGING OXYGEN; OXYGEN-17; POSSIBLE MECHANISMS; THERMODYNAMIC AND TRANSPORT PROPERTIES;

ALUMINUM;

ALUMINOSILICATE; CHEMICAL COMPOSITION; NUCLEAR MAGNETIC RESONANCE; OXYGEN ISOTOPE; SPECTROSCOPY; THERMODYNAMICS;

EID: 79958734488     PISSN: 0003004X     EISSN: 19453027     Source Type: Journal    
DOI: 10.2138/am.2011.3680     Document Type: Article

References (52)

1. 17O MAS and 3QMAS NMR on calcium aluminate and low-silica Ca-aluminosilicate glasses. American Mineralogist, 88, 949-954. (Pubitemid 36965174)
2. 9 glasses; an investigation utilizing Raman and NMR spectroscopy of glasses and crystalline materials. Chemical Geology, 213, 137-151. (Pubitemid 40014517)
3. 17O and 27Al NMR. In J. Chen, Y. Wang, T.S. Duffy, G. Shen, and L.F. Dobrzhinetskaya, Eds., Frontiers of High Pressure Research, p. 211-240. Elsevier, Amsterdam.
4. Allwardt, J.R., Stebbins, J.F., Schmidt, B.C., Frost, D.J., Withers, A.C., and Hirschmann, M.M. (2005b) Aluminum coordination and the densification of high-pressure aluminosilicate glasses. American Mineralogist, 90, 1218-1222. (Pubitemid 41043370)
5. Bottinga, Y., Weill, D., and Richet, P. (1982) Density calculations for silicate liquids. I. Revised method for aluminosilicate compositions. Geochimica et Cosmochimica Acta, 46, 909-919.
6. 17O in ruby with dynamic polarization techniques. Physics Letters A, 31, 416-417.
7. d'Espinose de Lacaillerie, J.-B., Fretigny, C., and Massiot, D. (2008) MAS NMR spectra of quadrupolar nuclei in disordered solids: The Czjzek model. Journal of Magnetic Resonance, 192, 244-251.
8. 2 glasses of high soda content. Journal of Non-Crystalline Solids, 58, 1-16. (Pubitemid 14469494)
9. Du, L.-S., and Stebbins, J.F. (2006) Oxygen sites and network coordination in sodium germanate glasses and crystals: High-resolution oxygen-17 and sodium-23 NMR. The Journal of Physical Chemistry B, 110, 12427-12437. (Pubitemid 44139427)
10. Eckert, H. (1992) Structural characterization of noncrystalline solids and glasses using solid state NMR. Progress in Nuclear Magnetic Resonance Spectroscopy, 24, 159-293.
11. Giordano, D. and Dingwell, D.B. (2003) Non-arrhenian multicomponent melt viscosity: A model. Earth and Planetary Science Letters, 208, 337-349. (Pubitemid 36357782)
12. Iuga, D., Morais, C., Gan, Z., Neuville, D.R., Cormier, L., and Massiot, D. (2005) NMR heteronuclear correlation between quadrupolar nuclei in solids. Journal of the American Chemical Society, 127, 11540-11541. (Pubitemid 41208708)
13. 27Al NMR spectra of high-pressure crystals and glasses; new data for jadeite, pyrope, grossular, and mullite. American Mineralogist, 92, 210-216. (Pubitemid 46139568)
14. 27Al MAS NMR spectroscopic study. American Mineralogist, 93, 134-143.
15. Kelsey, K.E., Stebbins, J.F., Mosenfelder, J.L., and Asimow, P.D. (2009a) Simultaneous aluminum, silicon, and sodium coordination changes in 6 GPa sodium aluminosilicate glasses. American Mineralogist, 94, 1205-1215.
16. Kelsey, K.E., Stebbins, J.F., Singer, D.M., Brown, G.E., Mosenfelder, J.L., and Asimow, P.D. (2009b) Cation field strength effects on high pressure aluminosilicate glass structure: Multinuclear NMR and La XAFS results. Geochimica et Cosmochimica Acta, 73, 3914-3933.
17. Kubicki, J.D. and Toplis, M.J. (2002) Molecular orbital calculations on aluminosilicate tricluster molecules: Implications for the structure of aluminosilicate glasses. American Mineralogist, 87, 668-678. (Pubitemid 34973844)
18. Lacy, E.D. (1963) Aluminium in glasses and in melts. Physics and Chemistry of Glasses, 4, 234-238.
19. 2 liquids: New measurements and derived molar properties. Geochimica et Cosmochimica Acta, 51, 2931-2946.
20. Lee, S.K. (2004) Structure of silicate glasses and melts at high pressure: Quantum chemical calculations and solid-state NMR. Journal of Physical Chemistry B, 108, 5889-5900.
21. Lee, S.K. and Stebbins, J.F. (2006) Disorder and the extent of polymerization in calcium silicate and aluminosilicate glasses; O-17 NMR results and quantum chemical molecular orbital calculations. Geochimica et Cosmochimica Acta, 70, 4275-4286. (Pubitemid 44177331)
22. Lee, S.K., Cody, G.D., Fei, Y., and Mysen, B.O. (2004) Nature of polymerization and properties of silicate melts and glasses at high pressure. Geochimica et Cosmochimica Acta, 68, 4189-4200. (Pubitemid 39337688)
23. Massiot, D., Touzo, B., Trumeau, D., Coutures, J.P., Virlet, J., Florian, P., and Grandinetti, P.J. (1996) Two-dimensional magic-angle spinning isotropic reconstruction sequences for quadrupolar nuclei. Solid State Nuclear Magnetic Resonance, 6, 73-83. (Pubitemid 126411877)
24. Massiot, D., Fayon, F., Capron, M., King, I., Le Calvé, S., Alonso, B., Durand, J.O., Bujoli, B., Gan, Z., and Hoatson, G. (2002) Modelling one and two-dimensional solid-state NMR spectra. Magnetic Resonance in Chemistry, 40, 70-76. (Pubitemid 37296946)
25. McMillan, P.F. and Kirkpatrick, R.J. (1992) Al coordination in magnesium aluminosilicate glasses. American Mineralogist, 77, 898-900. (Pubitemid 23384347)
26. 8. Geochimica et Cosmochimica Acta, 65, 4019-4041. (Pubitemid 33112236)
27. Mysen, B.O. and Richet, P. (2005) Silicate Glasses and Melts, Properties and Structure. Elsevier, Amsterdam.
28. 3+ in peralkaline, metaluminous, and peraluminous silicate melts and glasses at ambient pressure. American Mineralogist, 92, 933-946. (Pubitemid 46860124)
29. Mysen, B., Virgo, D., and Seifert, F.A. (1982) The structure of silicate melts: Implications for chemical and physical properties of natural magma. Reviews of Geophysics, 20, 353-383.
30. Neuville, D.R., Cormier, L., and Massiot, D. (2004) Al environment in tectosilicate and peraluminous glasses: A 27Al MQ-MAS NMR, Raman, and XANES investigation. Geochimica et Cosmochimica Acta, 68, 5071-5079. (Pubitemid 40046695)
31. -(2006) Al coordination and speciation in calcium aluminosilicate glasses: Effects of composition determined by 27Al MQ-MAS NMR and Raman spectroscopy. Chemical Geology, 229, 173-185.
32. Neuville, D.R., Cormier, L., Montouillout, V., Florian, P., Millot, F., Rifflet, J.-C., and Massiot, D. (2008) Structure of Mg- and Mg/Ca aluminosilicate glasses: 27Al NMR and Raman spectroscopy investigations. American Mineralogist, 93, 1721-1731.
33. 17O NMR spectra of hydrous silicate glasses. American Mineralogist, 86, 341-347. (Pubitemid 32296372)
34. 2O. Geochimica et Cosmochimica Acta, 66, 291-301. (Pubitemid 34119824)
35. Peng, L. and Stebbins, J.F. (2007) Sodium germanate glasses and crystals: NMR constraints on variation in structure with composition. Journal of Non-Crystalline Solids, 353, 4732-4742. (Pubitemid 350180923)
36. Poe, B.T., McMillan, P.F., Cote, B., Massiot, D., and Coutures, J.P. (1992) Silica-alumina liquids: In-situ study by high-temperature aluminum-27 NMR spectroscopy and molecular dynamics simulation. The Journal of Physical Chemistry, 96, 8220-8224.
37. Poole, P.H., McMillan, P.F., and Wolf, G.H. (1995) Computer simulations of silicate melts. In J.F. Stebbins, P.F. McMillan, and D.B. Dingwell, Eds., Structure, Dynamics and Properties of Silicate Melts, 32, p. 563-616. Reviews in Mineralogy, Mineralogical Society of America, Chantilly, Virginia.
38. 2 at 1500 °C. The Journal of Chemical Physics, 44, 2857-2865.
39. Scamehorn, C.A. and Angell, C.A. (1991) Viscosity-temperature relations and structure in fully polymerized aluminosilicate melts from ion dynamics simulations. Geochimica et Cosmochimica Acta, 55, 721-730.
40. Stebbins, J.F. and Xu, Z. (1997) NMR evidence for excess non-bridging oxygen in an aluminosilicate glass. Nature, 390, 60-62. (Pubitemid 27494753)
41. Stebbins, J.F., McMillan, P.F., and Dingwell, D.B., Eds. (1995) Structure, Dynamics and Properties of Silicate Melts, vol. 32. Reviews in Mineralogy, Mineralogical Society of America, Chantilly, Virginia
42. Stebbins, J.F., Lee, S.K., and Oglesby, J.V. (1999) Al-O-Al oxygen sites in crystalline aluminates and aluminosilicate glasses; high-resolution oxygen-17 NMR results. American Mineralogist, 84, 983-986. (Pubitemid 29497024)
43. Stebbins, J.F., Kroeker, S., Lee, S.K., and Kiczenski, T.J. (2000) Quantification of five- and six-coordinated aluminum ions in aluminosilicate and fluoride-containing glasses by high-field, high-resolution Al-27 NMR. Journal of Non-Crystalline Solids, 275, 1-6.
44. 17O NMR. American Mineralogist, 86, 1307-1311. (Pubitemid 33079782)
45. Stebbins, J.F., Dubinsky, E.V., Kanehashi, K., and Kelsey, K.E. (2008) Temperature effects on non-bridging oxygen and aluminum coordination number in calcium aluminosilicate glasses and melts. Geochimica et Cosmochimica Acta, 72, 910-925.
46. 2 liquids: Implications for the structural role of aluminium and the degree of polymerisation of synthetic and natural aluminosilicate melts. Geochimica et Cosmochimica Acta, 68, 5169-5188. (Pubitemid 40046702)
47. 2 liquids: The role of triclusters in tectosilicate melts. Geochimica et Cosmochimica Acta, 61, 2605-2612.
48. Toplis, M.J., Kohn, S.C., Smith, M.E., and Poplett, I.J.F. (2000) Fivefold-coordinated aluminium in tectosilicate glasses observed by triple quantum MAS NMR. American Mineralogist, 85, 1556-1560.
49. 2). Journal of Physical Chemistry B, 109, 1794-1797. (Pubitemid 40213182)
50. Walter, T.H. and Oldfield, R. (1989) Magic angle spinning oxygen-17 NMR of aluminum oxides and hydroxides. Journal of Physical Chemistry, 93, 6744-6751.
51. Wu, J.S. and Stebbins, J.F. (2009) Effects of cation field strength on the structure of aluminoborosilicate glasses: High-resolution B-11, Al-27 and Na-23 MAS NMR. Journal of Non-Crystalline Solids, 355, 556-562.
52. -(2010) Quench rate and temperature effects on boron coordination in aluminoborosilicate melts. Journal of Non-Crystalline Solids, 356, 2097-2108.