Multiple-quantum 1H MAS NMR studies of defect sites in as-made all- silica ZSM-12 zeolite

Journal of the American Chemical Society

Volumn 122, Issue 28, 2000, Pages 6659-6663

  Shantz, Daniel F ^b   Schmedt Auf Der Günne, Jörn ^a   Koller, Hubert ^a   Lobo, Raul F ^b  

^a UNIVERSITY OF MÜNSTER   (Germany)

^b University of Delaware   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

SILICON DIOXIDE; TRIMETHYLAMMONIUM SALT DERIVATIVE; ZEOLITE;

ARTICLE; CHEMICAL STRUCTURE; COLLOID; HYDROGEN BOND; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM MECHANICS; SIMULATION;

EID: 0039895651     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja000374s     Document Type: Article

References (37)

1. (a) Barrer, R. M. Hydrothermal Chemistry of Zeolites; Academic Press: London, 1982;
2. (b) Newsam, J. M. In Solid State Chemistry Compounds; Cheetham, A. K., Day, P., Eds.; Clarendon Press: Oxford, 1992.
3. (c) Van Bekkum, H.; Flanigen, E. M.; Jansen, J. C. Introduction to Zeolite Science and Practice; Elsevier: Amsterdam, 1991.
4. (a) Chester, A. W.; Chu, Y. F.; Dessau, R. M.; Kerr, G. T.; Kresge, C. T. J. Chem. Soc., Chem. Commun. 1985, 289.
5. (b) Nagy, J. B.; Gabelica, Z.; Derouane, E. G. Chem. Lett. 1982, 1105.
6. (c) Woolery, G. L.; Alemany, L. B.; Dessau, R. M.; Chester, A. W. Zeolites 1986, 6. 14.
7. (d) Hunger, M.; Kärger, J.; Pfeifer, H.; Caro, J.; Zibrowius, B.; Bülow, M.; Mostowicz, R. J. Chem. Soc., Faraday Trans. 1987, 83, 3459.
8. (e) Kraushaar, B.; DeHaan, J. W.; Van De Ven, L. J. M.; Van Hooff, J. H. C. Chem. Lett. 1986, 1523.
9. (a) Baldus, M.; Geurts, D. G.; Meier, B. H. Solid State NMR 1998, 11, 157.
10. (b) Hafner, S.; Spiess, H. W. Concepts Magn. Reson. 1998, 10, 99.
11. (a) Lee, Y. K.; Kurur, N. D.; Helmle, M.; Johannessen, O. G.; Nielsen, N. C.; Levitt, M. H. Chem. Phys. Lett. 1995, 242, 304.
12. (b) Eden, M.: Levitt, M. H. Chem. Phys. Lett. 1998, 293, 173.
13. (c) Green, H.; Titman, J. T.; Gottwald, J.; Spiess, H. W. Chem. Phys. Lett. 1994, 227, 79.
14. (d) Gottwald, J.; Demco, D. D.; Graf, R.; Spiess, H. W. Chem. Phys. Lett. 1995, 243, 314.
15. (a) Schmedt auf der Günne, J.; Eckert, H. Chem. Eur. J. 1998, 4, 1762.
16. (b) Graf, R.; Demco, D. E.; Hafner, S.; Spiess, H. W. Solid State NMR 1998, 12, 139.
17. (c) Graf, R.; Demco, D. E.; Gottwald, J.; Hafner, S.; Spiess, H. W. J. Chem. Phys. 1997, 106, 885.
18. Ernst, R. R.; Bodenhausen, G.: Wokaun, A. Principles of Nuclear Magnetic Resonance in One and Two Dimensions; Oxford University Press: New York 1987.
19. Koller, H.; Lobo, R. F.; Burkett, S. L.; Davis, M. E. J. Phys. Chem. 1995, 99, 12588.
20. Eckert, H.; Yesinowski, J. P.; Silver, L. A.; Stolper, E. M. J. Phys. Chem. 1988, 92, 2055.
21. Shantz, D. F.; Fild, C.; Koller, H.; Lobo, R. F. J. Phys. Chem. B 1999, 103, 10858.
22. Corey, D. G.; Ritchey, W. M. J. Magn. Reson. 1988, 80, 128.
23. SIMPSON, A general NMR simulation package. Written by M. Bak and J. T. Rasmussen, Department of Chemistry, University of Aarhus, Denmark.
24. 2 3.8, a product of Molecular Simulations Incorporated.
25. (a) Hill, J. R.; Sauer, J. J. Phys. Chem. 1994, 98, 1238.
26. (b) Rappè, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A., III; Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024.
27. The validity of this approach is questionable if one attempts to obtain quantitative results. However, the simulations provide useful insights into the effects of steric constraints and the plausibility of models of the defect cluster within a realistic zeolitic environment.
28. Hunger, M. Catal. Rev. Sci. Eng. 1997, 39, 345.
29. Engelhardt, G.; Michel, D. High-Resolution Solid State NMR of Silicates and Zeolites; Wiley: Chichester, 1987.
30. Roy, A. K.; Gleason, K. K. J. Magn. Reson. 1996, A120, 139
31. 2H NMR spectra of all-silica nonasil samples synthesized with deuterated silanol groups do not have a Pake doublet indicative of rigid deuterons, but rather a Gaussian line. This line suggests that the deuterons are not rigid. However, without knowing the geometry of the motion in detail, it is not possible to determine the effect of the motion on the dipolar coupling.
32. (a) Burkelt, S. L.; Davis, M. E. J. Phys. Chem. 1994, 98, 4647.
33. (b) De Moor, P. P. E. A.; Beelen, T. P. M.; Komanschek, B. U.; Diat, O.; Van Santen, R. A. J. Phys. Chem. B 1997, 101, 11077.
34. (c) Watson, J. N.; Iton, L. E.; Keir, R. I.; Thomas, J. C.; Dowling, T. L.; White, J. W. J. Phys. Chem. B 1997, 101, 10094.
35. (d) Schoeman, B. J. Zeolites 1997, 18, 97.
36. (e) de Moor P. P. E. A.; Beelen, T. P. M.; van Santen, R. A.; Tsuji, K.; Davis, M. E., Chem. Mater. 1999, II, 36.
37. (f) Watson, J. N.; Brown, A. S.; Iton, L. E.; White, J. W. J. Chem. Soc., Faraday Trans. 1998, 94, 2181.