Theoretical study of the enhanced Brønsted acidity of Zn2+-exchanged zeolites

Catalysis Letters

Volumn 63, Issue 1-2, 1999, Pages 97-106

  Barbosa, Luis A M M ^a   Van Santen, Rutger A ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Ab initio; Br nsted site and Lewis site acidity; Zeolites; Zn2+; ZnOH+

Indexed keywords

EID: 0033232662     PISSN: 1011372X     EISSN: None     Source Type: Journal    
DOI: 10.1023/a:1019004702119     Document Type: Article

References (57)

1. (a) G.J. Kramer and R.A. van Santen, J. Am. Chem. Soc. 115 (1993) 2887;
2. (b) G.J. Kramer and R.A. van Santen, Chem. Rev. 95 (1995) 637.
3. (a) V. Addeeva, J.W. de Haan, J. Jänchen, G.D. Lei, V. Schünemann, L.J.M. van de Ven, W.M.H. Sachtler and R.A. van Santen, J. Catal. 151 (1995) 364;
4. (b) J.F. Haw, J.B. Nicholas, T. Xu, L.W. Beck and D.B. Ferguson, Acc. Chem. Res. 29 (1996) 259.
5. C. Mirodatos and D. Barthomeuf, J. Chem. Soc. Chem. Commun. 2 (1981) 39.
6. N.P. Rhodes and R. Rudha, J. Chem. Soc. Faraday Trans. 90 (1994) 809.
7. (a) A. Corma, A. Martinez and C. Martinez, Appl. Catal. A 134 (1996) 169;
8. (b) A. Corma, A. Martinez, P.A. Arroyo, J.L.F. Monteiro and E.F. Souza-Aguiar, Appl. Catal. A 142 (1996) 139.
9. (a) A. Severino, A. Esculcas, J. Rocha, J. Vital and L.S. Lobo, Appl. Catal. A 142 (1996) 255;
10. (b) H. Valente and J. Vital, in: Heterogeneous Catalysis and Fine Chemicals IV, eds. H.U. Blaser, A. Baiker and R. Prins (Elsevier, Amsterdam, 1997) p. 555.
11. L.D. Fernandes, J.F. Monteiro, E.F. Souza-Aguiar, A. Martinez and A. Corma, J. Catal. 177 (1998) 363.
12. A. Nikolopoulos, A. Kogelbauer, J.G. Goodwin, Jr. and G. Marcelin, Appl. Catal. A 119 (1994) 69.
13. A. Nikolopoulos, A. Kogelbauer, J.G. Goodwin, Jr. and G. Marcelin J. Catal. 148 (1994) 157.
14. M.A. Makarova, S.P. Bates and J. Dwye, J. Am. Chem. Soc. 117 (1995) 11309.
15. (a) I.E. Maxwell, Adv. Catal. 31 (1982) 1;
16. (b) J.A. Biscardi, G.D. Meitzner and E. Iglesia, J. Catal. 170 (1998) 192.
17. (a) Y. Ono, Catal. Rev. Sci. Eng. 34 (1992) 179;
18. (b) B.S. Quake and W.M.H. Sachtler, J. Catal. 145 (1994) 456;
19. (c) M.V. Frash and R.A. van Santen, J. Phys. Chem., submitted;
20. (d) M.V. Frash and R.A. van Santen, Phys. Chem. Chem. Phys., submitted.
21. A. Hagen and F. Roessener, in: Studies in Surface Science and Catalysis, Vol. 98, eds. H.G. Krager and J. Weitkamp (Elsevier, Amsterdam, 1995) p. 189.
22. (a) G.Y. Onyestyák and D. Kalló, in: Catalyst Deactivation, Studies in Surface Science and Catalysis, Vol. 34, eds. B. Delmont and G.F. Froment (Elsevier, Amsterdam, 1987) p. 605;
23. (b) G.Y. Onyestyák, J. Papp and D. Kalló, in: Zeolites as Catalysts, Sorbents and Detergent Builders, Studies in Surface Science and Catalysis, Vol. 46, eds. H.G. Karge and J. Weitkamp (Elsevier, Amsterdam, 1989) p. 241;
24. (c) G.Y Onyestyák and D. Kalló, in: Catalysis by Microporous Materials, Studies in Surface Science and Catalysis, Vol. 94, eds. H.K. Beuer, H.G. Karge, I. Kiricsi and J.B. Nagy (Elsevier, Amsterdam, 1995) p. 435;
25. (d) G.Y. Onyestyák and D. Kalló, Zeolites 17 (1996) 489;
26. (e) G.Y. Onyestyák and D. Kalló, J. Mol. Catal. A 106 (1996) 103.
27. S. Lindskog, in: Zinc Enzymes, Vol. 1, eds. W. Maret and M. Zeppezamer (Birkhäuser, Boston, 1986) ch. 22.
28. (a) A.E. Eriksson, P.M. Kylsten, T.A. Jones and A. Liljas, Proteins 4 (1988) 283;
29. (b) D. Lu and G. Voth, J. Am. Chem. Soc. 120 (1998) 4006;
30. (c) A. Vendani, D.W. Huhta and S.P. Jacober, J. Am. Chem. Soc. 111 (1989) 4075.
31. (a) V.I. Yakerson, T.V. Vasina, L.I. Lafer, V.P. Sytnyk, G.L. Dykh, A.V. Mokhov, O.V. Bragin and Kh.M. Minachev, Catal. Lett. 3 (1989) 339;
32. (b) N. Kuman, L.E. Lindfors and R. Buggningsbacka, Appl. Catal. A 139 (1996) 189;
33. (c) N. Kuman and L.E. Lindfors, Appl. Catal. A 147 (1996) 175;
34. (d) P.A. Arroyo, E.F. Souza-Aguiar and J.L.F. Monteiro in: 202nd ACS National Meeting, Vol. 36, New York, August 1991.
35. (a) J.F. Haw, M.B. Hall, A.E. Alvarado-Swaisgood, E.J. Munson, Z. Lin, L.W. Beck and T. Howard, J. Am. Chem. Soc. 116 (1994) 7308;
36. (b) A.G. Pelmenschikov, R.A. van Santen, J. Jänchen and E. Meijer, J. Phys. Chem. 97 (1993) 11071.
37. (a) J. Jänchen, M.P.J. Peeters, J.H.M.C. van Wolput, J.P. Wolthuizen, J.H.C. van Hooff and U. Lohse, J. Chem. Soc. Faraday Trans. 90 (1994) 1033;
38. (b) J. Jänchen, H. Stach, M. Busio and J.H.M.C. van Wolput, Thermochim. Acta 312 (1998) 33.
39. J. Sauer, P. Ugliengo, E. Garrone and V.R. Saunders, Chem. Rev. 94 (1994) 2095.
40. (a) R. Shah, J.D. Gale and M.C. Payne, J. Phys. Chem. B 101 (1997) 4787;
41. (b) R.A. van Santen, Catal. Today 38 (1997) 377.
42. N. Godbout, J. Andzelm, E. Wimmer and D.R. Salahub, Canad. J. Chem. 70 (1992) 560.
43. J. Andzelm, N. Russo and D.R. Salahub, Chem. Phys. Lett. 142 (1987) 169.
44. J. Andzelm and E. Wimmer, J. Chem. Phys. 58 (1992) 1280.
45. A.C. Scheiner, J. Baker and J.W. Andzelm, J. Comput. Chem. 18 (1997) 775.
46. A.D. Becke, Phys. Rev. A 33 (1988) 3098.
47. C. Lee, W. Yang and R.G. Parr, Phys. Rev. B 37 (1988) 785.
48. H.B. Schlegel, in: Ab Initio Methods in Quantum Chemistry, Part I, Advances in Chemical Physics, Vol. LXVII, eds. I. Priogine and S.A. Rice (Wiley-Interscience, Chichester, 1987) p. 249.
49. E. Radzio, J.W. Andzelm and D.R. Salahub, J. Comp. Chem. 6 (1985) 533.
50. A. Seidel, F. Rittner and B. Boddenberg, J. Phys. Chem. B 102 (1998) 7176.
51. L. Khouchaf, M.-H. Tuiler, M. Wark, M. Soulard and H. Kessler, Micropor. Mesopor. Mater. (1998) 20, 27.
52. K. Pierloot, A. Delabie, C. Ribbing, A.A. Verberckmoes and R.A. Shooneydt, J. Chem. Phys. B 102 (1998) 10789.
53. W.J. Mortier, in: Proc. 6th International Conference on Zeolite, eds. D. Olson and A. Bisio (Butterworths, Guildford, 1984) p. 734.
54. A. Hagen, K.-H. Hallmeier, C. Hennig, R. Szargan, T. Inui and F. Roessner, in: Catalysis by Microporous Materials, Studies in Surface Science and Catalysis, Vol. 94, eds. H.K. Beuer, H.G. Karge, I. Kiricsi and J.B. Nagy (Elsevier, Amsterdam, 1995) p. 195.
55. N.O. Gonzales, A.K. Chakraborty and A.T. Bell, Catal. Lett. 50 (1998) 135.
56. M.T.G. Oostenbrink, M.K. Oudenhuijzen and D.C. Koningsberger, to be published.
57. G.A. Olah and T.E. Kiovsky, J. Am. Chem. Soc. 90 (1968) 4666.