A model for the structure of the large-pore zeolite SSZ-31

Journal of the American Chemical Society

Volumn 119, Issue 16, 1997, Pages 3732-3744

  Lobo, Raul F ^a   Tsapatsis, Michael ^a,b   Freyhardt, Clemens C ^c,e   Chan, Ignatius ^d   Chen, Cong Yan ^d   Zones, Stacey I ^d   Davis, Mark E ^c  

^a University of Delaware   (United States)

^b University of Massachusetts   (United States)

^c California Institute of Technology   (United States)

^d CHEVRON ENERGY TECHNOLOGY COMPANY   (United States)

^e UNIVERSITY OF KONSTANZ   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ZEOLITE;

ARTICLE; DRUG STRUCTURE; MICROSCOPY; MODEL; X RAY DIFFRACTION;

EID: 0030953648     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja963925g     Document Type: Article

References (46)

1. (a) Davis, M. E. Chem. Ind. 1992, 4, 137-139.
2. (b) Moscou, L. Stud. Surf. Sci. Catal. 1991, 58, 1-12.
3. (a) Santilli, D. S.; Zones, S. I. Catal. Lett. 1991, 7, 383-387.
4. (b) Souverijns, W.; Rombouts, L.; Martens, J. A.; Jacobs, P. A. Microporous Mater. 1995, 4, 123-130.
5. (a) Helmkamp, M. M.; Davis, M. E. Ann. Rev. Mat. Sci. 1995, 25, 161-192.
6. (b) Lobo, R. F.; Zones, S. I.; Davis, M. E. J. Inclusion Phenom. Mol. Recognit. Chem. 1995, 21, 47-78.
7. (c) Burkett, S. L.; Davis, M. E. Chem. Mater. 1995, 7, 1453-1463.
8. (d) Behrens, P.; Van de Goor, G.; Freyhardt, C. C. Angew. Chem., Int. Ed. Engl. 1996, 34, 2680.
9. (a) Baerlocher, C.; McCusker, L. B. Stud. Surf. Sci. Catal. 1994, 85, 391-428.
10. (b) McCusker, L. Acta Crystallogr. Sec. A 1991, 47, 297.
11. Higgins, J. B.; LaPierre, R. B.; Schlenker, J. L.; Rohrman, A. C; Wood, J. D.; Kerr, G. T.; Rohrbaugh, W. J. Zeolites 1988, 8, 446-452.
12. Newsam, J. M.; Treacy, M. M. J.; Koetsier, W. T.; de Gruyter, C. B. Proc. R. Soc. London, Ser. A 1988, 420, 375-405.
13. (a) Lobo, R. F.; Pan, M.; Chan, I.; Li, H. X.; Medrad, R. C.; Zones, S. I.; Crazier, P. A.; Davis, M. E. Science 1993, 262, 1543-1546.
14. (b) Lobo, R. F.; Pan, M.; Chan, I.; Medrud, R. C.; Zones, S. I.; Crozier, P. A.; Davis, M. E. J. Phys. Chem. 1994, 98, 12040-12052.
15. Lobo, R. F.; Davis, M. E. J. Am. Chem. Soc. 1995, 117, 3766.
16. (a) Treacy, M. M. J.; Vaughan, D. E. W.; Strohmaier, K. G.; Newsam, J. M. Proc. R. Soc. London, Ser. A 1996, 452, 813-840.
17. (b) Arhancet, J. P.; Davis, M. E. Chem. Mater. 1991, 3, 567-569.
18. (c) Anderson, M. W.; Pachis, K. S.; Previn, F.; Carr, S. W.; Terasaki, O.; Ohsuna, T.; Alfreddson, V. J. Chem. Soc., Chem. Commun. 1991, 1660-1661.
19. Schlenker, J. L.; Rohrbaugh, W. J.; Chu, P.; Valyosik E. W.; Kokotailo, G. T. Zeolites 1985, 5, 355-358.
20. (a) LaPierre, R. B.; Rohrman, A. C.; Schlenker, J. L.; Wood, J. D.; Rubin, M. K.; Rohrbaugh, W. J. Zeolites 1985, 5, 346.
21. (b) Fyfe, C. A.; Gies, H.; Kokotailo, G. T.; Marier, B.; Cox, D. E. J. Phys. Chem. 1990, 94, 3718.
22. (a) Terasaki, O.; Ohsuna, T.; Sakuma, H.; Watanabe, D.; Nakagawa, Y. Chem. Mater. 1996, 12, 463.
23. (b) Millward, G. R.; Ramdas, S.; Thomas, J. M.; Barlow, M. T. J. Chem. Soc., Faraday Trans. 1983, 79, 1075-1082.
24. Zones, S. I. Harris, T. V.; Rainis, A.; Santilli, D. S. U.S. Patent 5 106 801 (1992).
25. (a) Nakagawa, Y. Stud. Surf. Sci. Catal. 1994, 84, 323-330.
26. (b) Nakagawa, Y.; Zones, S. I. In Synthesis of Microporous Materials; Occelli, M. L., Robson, H. E., Eds.; Van Nostrand Reinhold: New York, 1992; Vol. 1, p 222.
27. (c) Zones, S. I.; Nakagawa, Y. Microporous Mater. 1994, 2, 543-555.
28. (d) Nakagawa, Y. Stud. Surf. Sci. Catal. 1995, 97, 53-60.
29. (b) Zones, S. I.; Nakagawa, Y. Stud. Surf. Sci. Catal. 1995, 97, 45-52.
30. (a) Reddy, K. R.; Ramaswamy, V.; Kumar, R.; Ramaswamy, A. V. Zeolites 1994, 14, 326-334.
31. (b) Ratnasamy, P.; Kumar, R. Stud. Surf. Sci. Catal. 1995, 97, 367-376.
32. (c) Sasidharan, M.; Reddy, K. R.; Kumar, R. J. Catal. 1995, 154, 216-221.
33. (d) Rao, P. R. H. P.; Reddy, K. R.; Ramaswamy, A. V.; Ratnasamy, P. Stud. Surf. Sci. Catal. 1993, 78, 385-392.
34. (e) Reddy, K. R.; Ramaswamy, A. V.; Ratnasamy, P. J. Chem. Soc., Faraday Trans. 1992, 21, 1613-1615.
35. Treacy, M. M. J.; Newsam, J. M.; Deem, M. W. Proc. R. Soc. London, Ser. A 1991, 433, 499-520. All the calculations have been carried out using v. 1.801 of the program using PPC Macintoch computer.
36. Zones, S. I.; Nakagawa, Y.; Yuen, L. T.; Harris, T. V. J. Am. Chem. Soc. 1996, 118, 7558-7567.
37. Lobo, R. F.; Chen, C. Y. et al. Manuscript in preparation.
38. Meier, W. M.; Olson, D. H. Atlas of Zeolite Structure Types, 3rd ed.; Butterworth-Heinemann: Stoneham, MA, 1992.
39. (a) Bialek, R.; Meier, W. M.; Davis, M. E.; Annen, J. M. Zeolites 1991, 11, 438.
40. (b) Richardson, J. W.; Smith, J. V.; Han, S. X. J. Chem. Soc., Faraday Trans. 1990, 86, 2341-2342.
41. Freyhardt, C. C.; Tsapatsis, M.; Lobo, R. F.; Balkus, K. J., Jr.; Davis, M. E. Nature 1996, 381, 295-298.
42. Higgins, J. B. In Silica: Physical Behavior, Geochemistry and Materials Applications; Heaney, P. J., Prewitt, C. T., Gibbs, G. V., Eds.; Mineralogical Society of America: Washington D.C., 1994.
43. Layer atomic positions: The atomic positions of the silicon and oxygen atoms of each layer were directly obtained from the DLS-76 optimized positions of the orthorhombic polymorphs B, D, F, and H. This was done due to the simplicity of orthogonal coordinates of this system. The orthorhombic polymorphs contain in one unit cell the two relevant layers for the simulation (say α and α′, for example).
44. We have also carried out simulations of ED patterns of the four faulted polymorphs along [0 1 0] and [1 0 0] using DIFFaX. The ED patterns along [0 1 0], the pore direction, show sharp spots for every third column, hk3n, and streaks for the other columns in the four cases. The ED patterns along this direction are qualitatively very similar for the four intergrowths. ED patterns along [1 0 0] show sharp spots every other column 2nkl, as in Figure 4b, for the four intergrowths. The four patterns along [1 0 0] are also qualitatively very similar. Thus, the ED data cannot be used to select amongst the four faulted models.
45. See the manual for DIFFaX by M. M. J. Treacy and ref 6a for more details about the stacking vectors and the matrix of stacking probabilities.
46. Breck, D. W. Zeolite Molecular Sieves: Structure, Chemistry and Use, 1st ed.; Wiley: New York; p 770.