Density Functional Theoretical and NMR Study of Hammett Bases in Acidic Zeolites

Journal of the American Chemical Society

Volumn 117, Issue 49, 1995, Pages 12350-12351

  Nicholas, John B ^a   Haw, James F ^b   Beck, Larry W ^b   Krawietz, Thomas R ^b   Ferguson, David B ^b  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b TEXAS A AND M UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000115406     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00154a044     Document Type: Article

References (28)

1. Tanabe, K.; Misono, M.; Ono, Y.; Hattori, H. New Solid Acids and Bases; Delman, B., Yates, J. T., Eds.; Elsevier Scientific: New York, 1989.
2. Hammett, L. P.; Deyrup, A. J. J. Am. Chem. Soc. 1932, 54, 2721–39.
3. Xu, T.; Munson, E. J.; Haw, J. F. J. Am. Chem. Soc. 1994, 116, 1962–72.
4. Xu, T.; Haw, J. F. J. Am. Chem. Soc. 1994, 116, 10188–94.
5. van Santen, R. A.; Kramer, G. J. Chem. Rev. 1995, 95, 637–60.
6. Sauer, J. Chem. Rev. 1989, 89, 199–255.
7. Kramer, G. J.; van Santen, R. A. J. Am. Chem. Soc. 1995, 117, 1766–76.
8. Blaszkowski, S. R.; van Santen, R. A. J. Phys. Chem. 1995, 99, 11728–38.
9. Haase, F.; Sauer, J. J. Am. Chem. Soc. 1995, 117, 3780–9.
10. Gale, J. D.; Catlow, C. R. A.; Carruthers, J. R. Chem. Phys. Lett. 1993, 216, 155–61.
11. Gale, J. D.; Catlow, C. R. A.; Cheetham, A. K. J. Chem. Soc., Chem. Commun. 1991, 178–9.
12. Allavena, M.; Kassab, E.; Evleth, E. J. Mol. Struc. 1994, 325, 85–93.
13. van Koningsveld, H.; van Bekkum, H.; Jansen, J. C. Acta Crystallogr. B 1987, 43, 127–32.
14. Delley, B. J. Chem. Phys. 1990, 92, 508–17.
15. Vosko, S. J.; Wilk, L.; Nussair, M. Can. J. Phys. 1980, 58, 1200–11.
16. Becke, A. D. Phys. Rev. A 1988, 38, 3098–100.
17. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785–9.
18. Delley, B.; Ellis, D. E. J. Chem. Phys. 1982, 76, 1949–60.
19. Datka, J.; Boczar, M.; Rymarowics, P. J. Catal. 1988, 114, 368–76.
20. Teunissen, E. H.; van Duijneveldt, F. B.; van Santen, R. A. J. Phys. Chem. 1992, 96, 366–71.
21. Ditchfield, R. Mol. Phys. 1974, 27, 789–807.
22. Ahlrichs, R.; Bar, M. M.; Haser, M.; Horn, H.; Kolmel, C. Chem. Phys. Lett. 1989, 162, 165–9.
23. Haser, M.; Ahlrichs, R.; Baron, H. P.; Weis, P.; Horn, H. Theor. Chim. Acta 1992, 83, 455–70.
24. Hehre, W.; Ditchfield, J. R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257.
25. Munson, E. J.; Haw, J. F. J. Am. Chem. Soc. 1991, 113, 6303–5.
26. Haw, J. F.; Hall, M. B.; Alvarado-Swaisgood, A. E.; Munson, E. J.; Lin, Z.; Beck, L. W.; Howard, T. J. Am. Chem. Soc. 1994, 116, 7308–18.
27. O’Malley, P. J.; Dwyer, J. J. Phys. Chem. 1988, 92, 3005–7.
28. Nicholas, J. B.; Winans, R. E.; Harrison, R. J.: Iton, L. E.; Curtiss, L. A.; Hopfinger, A. J. J. Phys. Chem. 1992, 96, 7958–65.