The siting of Ti in TS-1 is non-random. Powder neutron diffraction studies and theoretical calculations of TS-1 and FeS-1

Journal of Physical Chemistry B

Volumn 104, Issue 51, 2000, Pages 12157-12164

  Hijar, C A ^a   Jacubinas, R M ^a   Eckert, J ^a   Henson, N J ^a   Hay, P J ^b   Ott, K C ^b  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b BASF SE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; IRON COMPOUNDS; MATHEMATICAL MODELS; NEUTRON DIFFRACTION; NEUTRON SCATTERING; TITANIUM COMPOUNDS; X RAY CRYSTALLOGRAPHY;

RIETVELD ANALYSIS;

MOLECULAR SIEVES;

EID: 0034499165     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp002167k     Document Type: Article

References (49)

1. A preliminary report of this work was presented at the International Union of Crystallography Congress, Glasgow, Scotland, August 4-13, 1999.
2. Arends, L; Sheldon, R. A.; Wallau, M.; Schuchardt, U. Angew. Cliem., Int. Ed. Engl. 1997, 36, 1144-1163.
3. Taramasso, M.; Perego, G.; Notait B. U.S. Patent 4,410,501, 1983.
4. Taramasso, M.; Manara, G.; Fattore, V.; Notari, B. U.S. Patent 4,666,692, 1987.
5. Sheldon, R. A.; Wallau, M.; Arends, I.; Schuchardt, U. Ace. Clicm. Res. 1998, 31, 485-493.
6. Sheldon, R. A.; Arends, I.; Lempers, H. E. B. Catal. Todav 1998, 41, 387-407.
7. Notari, B. Aili: Catal. 1996, 41, 253-334.
8. Vayssilov, G. N. Carat. Kei'.-Sci. Eng. 1997, 39, 209-251.
9. Flanigen, E. M.; Bennett, J. M.; Grose, R. W.; Cohen, J. P.; Patton, R. L.; Kirchner, R. M.; Smith, J. V. Nature 1978, 277, 512-516.
10. Redondo, A.; Hay, P. J. J. Phys. Chem. 1993, 97, 11754-11761.
11. Ricchiardi, G.; Newsam. J. M. J. Phys. Chem. B 1997,101, 99439950.
12. Ruiz-Salvador, A. R.; Lewis, D. W.; Rubayo-Soneira, J.; RodriguezFuentes, G.; Sierra, L. R.; Catlow, C. R. A. J. Phys. Chem. B 1998, 702, 8417-8425.
13. Jentys, A.; Catlow, C. R. A. Catal. Lett. 1993, 22, 251-257.
14. Millini, R.; Perego, G.; Seiti, K. Stud. Surf. Sei. Catal. 1994, 84, 2123-2129.
15. Njo, S. L.; van Koningsveld, H.; van de Graaf, B. J. Phys. Chem. B 1997, 707, 10065-1006S.
16. Oumi, Y.; Matsuba, K.; Kubo, M.; Inui, T.; Miyamoto, A. Microporoits Mater. 1995, 4, 53-57.
17. Smirnov, K. S.; van de Graaf, B. Microporous Mater. 1996, 7, 133-138.
18. Lamberti, C; Bordiga, S.; Zecchina, A.; Carati, A.; Fitch, A. N.; Artioli, G.; Petrini, G.; Salvalaaaio, M.; Marra, G. L. J. COM/.'1999, 183, 222-231.
19. Szostak, R.; Nair, V.; Thomas, T. L. J. Chem. Soc., Faraday Trans. 1 1987, 83, 487-494.
20. Meagher, A.; Nair, V.; Szostak, R. Zeolites 1988, 8, 3-11.
21. Axon, S. A.; Fox, K. K.; Carr, S. W.; Klinowski, J. Chem. Pliys. Lett. 1992, IS9, 1-6.
22. Kim, G. J.; Ahn, W. S. Appl. Catal. 1991, 77, 55-68.
23. Durant, V. A.; Walker, D. A.; Gussow, S. N.; Lyons, J. E. U.S. Patent 4,918,249, 1972.
24. Panov, G. I.; Uriarte, A. K.; Rodkin, M. A.; Sobolev, V. I. Catal. Today 1998, 41, 365-385.
25. Bordiga, S.; Buzzoni, R.; Geobaldo, F.; Lamberti, C; Giamello, E.; Zecchina, A.; Leofanti, G.; Petrini, G.; Tozzola, G.; Vlaic, G. J. Catal. 1996, 758,486-501.
26. Matsubayashi, N.; Shimada, H.; Imamura, M.; Sato, T.; Okabe, K.; Yoshimura, Y.; Nishijima, A. Catal. Today 1996, 29, 273-277.
27. Vetrivel, R.; Pal, S.; Krishnan, S. J. Mol. Calai. 1991, 66, 385397. '
28. Lewis, D. W.; Catlow, C. R. A.; Sankar, G.; Carr, S. W. J. Phys. Chem. 1995, 99, 2377-2383.
29. Larson, A. C.; von Dreele, R. B. "General Structure Analysis System," LA-UR 86-748, Los Alamos National Laboratory, 1986.
30. van Konincsveld, H. Acta Crystallogr., Sect. B: Struct. Sei. 1990, -#6,731-735.
31. Rietveld, H. M. J. Appl. Crystallogr. 1969, 2, 65.
32. Young, R. A. The Rietivld Method; 1UCR Monographs on Crystallography; Oxford University Press: New York, 1993.
33. van Koninssveld, H.; Jansen, J. C.; van Bekkum, H. Zeolites 1990, 70, 235-242.
34. Yu, J.; Hehre, W. J. J. Comput. Chem., submitted.
35. Stewart, J. J. P. J. Comput. Chem. 1989, 10, 209-220.
36. Stewart, J. J. P. J. Comput. Chem. 1989, 70, 221-264.
37. Spartan Version 5.0, Wavefunction, Inc., 18401 von Kaiman Ave., Suite 370, Irvine, CA 92612, 1998.
38. Shannon, R. D. Ada Crystallogr. Sect. A 1976, 32, 751-767.
39. Gale, J. D. General Utility Lattice Program, Royal Institution of Chemistry and Imperial College, 1992-2000.
40. Henson, N. J.; Cheetham, A. K.; Gale, J. D. Client. Mater. 1994, 6, 1647-1650.
41. Lamberti, C.; Bordiga, S.; Arduino, D.; Zecchina, A.; Geobaldo, F.; Spano, G.; Genoni, F.; Petrini, G.; Carati, A.; Villain, F.; Vlaic, G. J. Phys. Chem. B 1998, 702, 6382-6390.
42. Bolis, V.; Bordiga, S.; Lamberti, C.; Zecchina, A.; Carati, A.; Rivetti, F.; Spano, G.; Petrini, G. Microporous Mesoporous Mater. 1999, 30, 67-76.
43. Tozzola, G.; Mantegazza, M. A.; Ranghino, G.; Petrini, G.; Bordiga, S.; Ricchiardi, G.; Lamberti, C.; Zulian, R.; Zecchina, A. J. Catal. 1998, 779,64-71.
44. Morris, R. E.; Weigel, S. J.; Henson, N. J.; Bull, L. M.; Janicke, M. T.; Chmelka, B. F.; Cheetham, A. K. J. Am. Chem. Soc. 1994, 116, 11849-11855.
45. Burkett, S. L.; Davis, M. E. J. Phys. Chem. 1994, 95, 4647-4653.
46. Kirschhock, C. E. A.; Ravishankar, R.; Verspeurt, F.; Grobet, P. J.; Jacobs, P. A.; Martens, J. A. J. Phys. Chem. B 1999, 70. 1, 4965-4971.
47. Shantz, D. F.; Fild, C.; Koller, H.; Lobo, R. F. J. Phys. Chem. B 1999, 70.?, 10858-10S65.
48. Dant, C. B.; Khouw, C. B.; Li, H.-X.; Davis, M. E. Microporous Mater. 1994, 2, 425.
49. Reddy, K. M.; Kaliaauine, S.; Sayari, A.; Ramaswamy, A. V. Catal. Lett. 1994, 23, 175. .