Site-hopping dynamics of benzene adsorbed on Ca-LSX zeolite studied by solid-state exchange 13C NMR

Journal of the American Chemical Society

Volumn 119, Issue 39, 1997, Pages 9252-9267

  Schaefer, D J ^a   Favre, D E ^a   Wilhelm, M ^c   Weigel, S J ^b,d   Chmelka, B F ^a  

^a University of California   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

^d AIR PRODUCTS AND CHEMICALS INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; ZEOLITE;

ARTICLE; DRUG ADSORPTION; DRUG STRUCTURE; IN VITRO STUDY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

EID: 0030853770     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja971563m     Document Type: Article

References (104)

1. Breck, D. W. Zeolite Molecular Sieves; Krieger: Malabar, 1974.
2. Jansen, J. C., Stöcker, M., Karge, H. G., Weitkamp, J., Eds. Advanced Zeolite Science and Applications; Elsevier Science B.V.: Amsterdam, 1994.
3. Weitkamp, J., Karge, H. G., Pfeifer, H., Hölderich, W., Eds. Zeolites and Related Microporous Materials: State of the Art 1994; Elsevier Science B.V.: Amsterdam, 1994.
4. Chen, N. Y.; Degnan, T. F., Jr.; Smith, C. M. Molecular Transport and Reaction in Zeolites; VCH Publishers, Inc.: New York, 1994.
5. Kärger, J.; Ruthven, D. M. Diffusion in Zeolites and Other Microporous Solids; Wiley: New York, 1992.
6. Meier, W. M.; Olson, D. H.; Baerlocher, C. Atlas of Zeolite Structure Types, 4th ed.; Butterworth-Heinemann: Boston, 1996.
7. Vitale, G.; Bull, L. M.; Morris, R. E.; Cheetham, A. K.; Toby, B. H.; Coe, C. G.; MacDougall, J. E. J. Phys. Chem. 1995, 99, 16087-16092.
8. Loewenstein, W. Am Mineral. 1954, 39, 92-96.
9. Lechert H.; Wittern, K.-P. Ber. Bunsen-Ges. Phys. Chem. 1978, 82, 1054-1060.
10. Burmeister, R.; Schwarz H.; and Boddenberg, B. Ber. Bunsen-Ges. Phys. Chem. 1989, 93, 1309-1313.
11. Fitch, A. N.; Jobic, H.; Renouprez, A. J. Phys. Chem. 1986, 90, 1311-1318.
12. de Mallmann, A.; Barthomeuf, D. J. Chem. Soc., Chem. Commun. 1986, 90, 476-477.
13. Freeman, J. J.; Unland, M. L. J. Catal. 1978, 54, 183-196.
14. Blank, H.; Bülow, M.; Schirmer, W. Z. Phys. Chem. 1979, 260, 395-402.
15. Liu, S.-B.; Ma, L.-J.; Lin, M.-W.; Wu, J.-F.; Chen, T.-L. J. Phys. Chem. 1992, 96, 8120-8125.
16. Catlow, C. R. A., Ed. Modelling of Structure and Reactivity in Zeolites; Academic Press: San Diego, 1992.
17. (a) Henson, N. J.; Cheetham, A. K. J. Inclusion Phenom. Mol. Recognit. Chem. 1995, 21, 137-158.
18. (b) Auerbach, S. M.; Metiu, H. I. J. Chem. Phys. 1997, 106, 2893-2905.
19. (c) Auerbach, S. M.; Metiu, H. I. J. Chem. Phys. 1996, 105, 3753-3760.
20. (d) Auerbach, S. M.; Henson, N. J.; Cheetham, A. K.; Metiu, H. I. J. Phys. Chem. 1995, 99, 10600-10608.
21. (e) Keffer, D.; McCormick, A. V.; Davis, H. T. J. Phys. Chem. 1996, 100, 967-973.
22. (f) Klein, H.; Kirschhock, C.; Fuess, H. J. Phys. Chem. 1994, _ 98, 12345-12360.
23. (g) Klein, H.; Fuess, H.; Schrimpf, G. J. Phys. Chem. 1996, 100, 11101-11112.
24. (a) Kärger, J.; Pfeifer, H.; Heink, W. Adv. Magn. Reson. 1988, 12, 1-89.
25. (b) Bell, A. T., Pines, A., Eds. NMR Techniques in Catalysis; Marcel Dekker, Inc.: New York, 1994.
26. Ruthven, D. M. Principles of Adsorption and Adsorption Processes; Wiley: New York, 1984.
27. Bée, M. Quasielastic Neutron Scattering, Principles and Applications in Solid State Chemistry, Biology and Materials Science; Adam Hilger: Philadelphia, 1988.
28. Gladden, L. F. Chem. Eng. Sci. 1994, 49, 3339-3408.
29. (a) Pfeifer, H. NMR Basic Principles and Progress; Springer Verlag: New York, 1972; Vol. 7, pp 53-153.
30. (b) Tycko, R. Nuclear Magnetic Resonance Probes of Molecular Dynamics; Kluwer Academic Publishers: Boston, 1994.
31. (a) Bull, L. M.; Henson, N. J.; Cheetham, A. K.; Newsam, J. M.; Heyes, S. J. J. Phys. Chem. 1993, 97, 11776-11780.
32. (b) Auerbach, S. M.; Bull, L. M.; Henson, N. J.; Metiu, H. I.; Cheetham, A. K. J. Phys. Chem. 1996, 100, 5923-5930.
33. (c) Voss, V.; Boddenberg, B. Surf. Sci. 1993, 298, 241-250.
34. (d) Sousa Gonçalves, J. A.; Portsmouth, R. L.; Alexander, P.; Gladden, L. F. J. Phys. Chem. 1995, 99, 3317-3325.
35. (e) Alexander, P.; Gladden, L. F. Zeolites 1997, 18, 38-43.
36. (a) Boddenberg, B.; Burmeister, R. Zeolites 1988, 8, 488-494.
37. (b) Boddenberg, B.; Beerwerth, B. J. Phys. Chem. 1989, 93, 1440-1447.
38. Spiess, H. W. NMR Basic Principles and Progress; Springer Verlag: Berlin, 1978; Vol. 15 pp 59-210.
39. Schmidt-Rohr, K.; Spiess, H. W. Multidimensional Solid-State NMR and Polymers; Academic Press: San Diego, 1994.
40. Ernst, R. R.; Bodenhausen, G.; Wokaun, A. Principles of Nuclear Magnetic Resonance in One and Two Dimensions; Clarendon Press: Oxford, 1987.
41. (a) Larsen, R. G.; Shore, J.; Schmidt-Rohr, K.; Emsley, L.; Long, H.; Pines, A.; Janicke, M.; Chmelka, B. F. Chem. Phys. Lett. 1993, 214, 220-226.
42. (b) Janicke, M.; Chmelka, B. F.; Larsen, R. G.; Shore, J.; Schmidt-Rohr, K.; Emsley, L.; Long, H.; Pines, In Zeolites and Related Microporous Materials: State of the Art 1994; Weitkamp, J., Karge, H. G., Pfeifer, H., Holderich, W., Eds.; Elsevier Science B. V.: Amsterdam, 1994; pp 519-526.
43. Jameson, A. K.; Jameson, C. J.; Gerald, R. E., II. J. Chem. Phys. 1994, 101, 1775-1786.
44. Moudrakovski, I. L.; Ratcliffe, C. I.; Ripmeester, J. A. In Zeolites: A Refined Tool for Designing Catalytic Sites; Bonneviot, L., Kaliaguine, S., Eds.; Elsevier Science B.V.: Amsterdam, 1995.
45. Heuer, A.; Leisen, J.; Kuebler, S. C.; Spiess, H. W. J. Chem. Phys. 1996, 105, 7088-7096.
46. Wilhelm, M.; Firouzi, A.; Favre, D. E.; Bull, L. M.; Schaefer, D. J.; Chmelka, B. F. J. Am. Chem. Soc. 1995, 117, 2923-2924.
47. Yang, Y.; Schuster, M.; Blümich, B.; Spiess, H. W. Chem. Phys. Lett. 1987, 139, 239-243.
48. Rabo, J. A., Ed. Zeolite Chemistry and Catalysis; ACS Monograph Series; American Chemical Society: Washington, DC, 1976; pp 118-284.
49. 13C-enriched in a single site was purchased from Isotec, 3858 Benner Road; Miamisburg, OH 45342.
50. Fraissard, J.; Ito, T. Zeolites 1988, 8, 350-361.
51. Chmelka, B. F.; Pearson, J. G.; Liu, S. B.; Ryoo, R.; de Menorval, L. C.; Pines, A. J. Phys. Chem. 1991, 95, 303-310.
52. Van Greet, A. L. Anal. Chem. 1970, 42, 679-680.
53. Kaplan, M. L.; Bovey, F. A.; Cheng, H. N. Anal. Chem. 1975, 47, 1703-1705.
54. (a) Dixon, W. T. J. Magn. Reson. 1981, 44, 220-223.
55. (b) Dixon, W. T. J. Chem. Phys. 1982, 77, 1800-1809.
56. (c) Raleigh, D. P.; Olejniczak, E. T.; Griffin, R. G. J. Chem. Phys. 1988, 89, 1333-1350.
57. Lang, S. J. J. Magn. Reson., Ser. A 1993, 104, 345-346.
58. Nielsen, N. C.; Bildsøe, H.; Jakobsen, H. J. J. Magn. Reson. 1988, 80, 149-154.
59. Hagemeyer, A.; van der Putten, D.; Spiess, H. W. J. Magn. Reson. 1991, 92, 628-630.
60. Hong, J.; Harbison, G. S. J. Magn. Reson., Ser. A 1993, 105, 128-136.
61. Blümich, B.; Hagemeyer, A.; Schmidt-Rohr, K.; Spiess, H. W. Ber. Bunsen-Ges. Phys. Chem. 1989, 93, 1189-1193.
62. R longer than the values reported; this uncertainty is not important to the data analysis.
63. Schaefer, D.; Leisen, J.; Spiess, H. W. J. Magn. Reson., Ser. A 1995, 115, 60-79.
64. Favre, D. E.; Schaefer, D. J.; Chmelka, B. F. Manuscript in preparation.
65. (a) Schmidt, C.; Wefing, S.; Blümich, B.; Spiess, H. W. Chem. Phys. Lett. 1986, 130, 84-90.
66. (b) Schmidt, C.; Blümich, B.; Spiess, H. W. J. Magn. Reson. 1988, 79, 269-290.
67. (a) Fujara, F.; Wefing, S.; Spiess, H. W. J. Chem. Phys. 1986, 84, 4579-4584.
68. (b) Fujara, F.; Wefing, S.; Kuhs, W. F. J. Chem. Phys. 1988, 88, 6801-6809.
69. (c) Fleischer, G.; Fujara, F. NMR Basic Principles and Progress; Springer Verlag: Berlin, 1994; Vol. 30, pp 161-207.
70. Kaufmann, S.; Wefing, S.; Schaefer, D.; Spiess, H. W. J. Chem. Phys. 1990, 93, 197-214.
71. Stejskal, E. O.; Memory, J. D. High Resolution NMR in the Solid State; Oxford University Press: Oxford, 1994.
72. (a) Wefing, S.; Spiess, H. W. J. Chem. Phys. 1988, 89, 1219-1233.
73. (b) Wefing, S.; Kaufmann, S.; Spiess, H. W. J. Chem. Phys. 1988, 89, 1234-1244.
74. e and the chemical shift coupling strength δ (eq 1).
75. Saravanan, C.; Auerbach, S. M. Submitted to J. Chem. Phys.
76. Spiess, H. W. J. Chem. Phys. 1980, 72, 6755-6762.
77. Isfort, O.; Fujara, F. To be published.
78. 13C NMR, which yielded a spectrum indistinguishable from that shown in Figure 3b.
79. Auerbach, S. M. J. Chem. Phys. 1997, 106, 7810-7815.
80. Pearson, J. G.; Chmelka, B. F.; Shykind, D. N.; Pines, A. J. Phys. Chem. 1992, 96, 8517-8522.
81. Oppenheim, I.; Shuler, K. E.; Weiss, G. H. Stochastic Processes in Chemical Physics: The Master Equation; MIT Press: Cambridge, 1977.
82. (a) Meier, B. H. In Advances in Magnetic and Optical Resonance; Warren, W.S., Ed.; Academic Press: New York, 1994; Vol. 18, pp 1-116.
83. (b) Suter, D.; Ernst, R. R. Phys. Rev. B 1985, 32, 5608-5627.
84. (c) Vanderhart, D. L. J. Magn. Reson. 1987, 72, 13-47.
85. (d) Kubo, A.; McDowell, C. A. J. Chem. Phys. 1988, 89, 63-70.
86. (e) Henrichs, P. M.; Linder, M.; Hewitt, J. M. J. Chem. Phys. 1986, 85, 7077-7086.
87. (f) Tycko, R.; Dabbagh, G. Isr. J. Chem. 1992, 32, 179-184.
88. (g) Diezemann, G. J. Chem. Phys. 1995, 103, 6368-6384.
89. (a) Clauss, J.; Schmidt-Rohr, K.; Spiess, H. W. Acta Polym. 1993, 44, 1-17.
90. (b) Vanderhart, D. L. Makromol. Chem., Macromol. Symp. 1990, 34, 125-159.
91. (c) Wang, J. J. Chem. Phys. 1996, 104, 4850-4858.
92. (d) Linder, M.; Henrichs, P. M.; Hewitt, J. M.; Massa, D. J. J. Chem. Phys. 1985, 82, 1585-1598
93. Limbach, H.-H.; Wehrle, B.; Schlabach, M.; Kendrick, R.; Yannoni, C. S. J. Magn. Reson. 1988, 77, 84-100.
94. Favre, D. E. Ph.D. Dissertation, University of California, Santa Barbara, manuscript in preparation.
95. (a) Gan, Z.; Ernst, R. R. Chem. Phys. Lett. 1996, 253, 13-19.
96. (b) Colombo, M. G.; Meier, B. H.; Ernst, R. R. Chem. Phys. Lett. 1988, 146, 189-196.
97. (c) Challoner, R.; Kümmerlen, J.; McDowell, C. A. Mol. Phys. 1994, 83, 687-700.
98. (d) Maas, W. E. J. R.; Veeman, W. S. Chem. Phys. Lett. 1988, 149, 170-174.
99. (e) Kubo, A.; McDowell, C. A. J. Chem. Soc., Faraday Trans. 1 1988, 84, 3713-3730.
100. (a) Müller, A.; Haeberlen, U. Chem. Phys. Lett. 1996, 248, 249-254.
101. (b) Müller, A.; Zimmermann, H.; Haeberlen, U. J. Magn. Reson. 1997, 126, 66-78.
102. Note that the symmetric error range of the correlation time transfers into an unsymmetric error range for the rate coefficient; for the sake of simplicity, averages of the high- and low-end uncertainty values are tabulated.
103. Robyr, P.; Tomaselli, M.; Straka, J.; Grob-Pisano, C.; Suter, U. W.; Meier, B. H.; Ernst, R. R. Mol. Phys. 1995, 84, 995-1020.
104. The window-to-window hopping rate coefficient k(W→W) is expected to be important only for high benzene loadings (>2 benzene molecules per supercage), when a sizable fraction of the W sites are occupied, or at elevated temperatures.