The Strength of Brønsted Acid Sites in Microporous Aluminosilicates

ACS Catalysis

Volumn 5, Issue 10, 2015, Pages 5741-5755

  Jones, Andrew J ^a   Iglesia, Enrique ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

acid strength; Br nsted acid; deprotonation energy; DFT; statistical mechanics

Indexed keywords

ALUMINOSILICATES; ATOMS; DENSITY FUNCTIONAL THEORY; MICROPOROSITY; SILICATES; STATISTICAL MECHANICS; ZEOLITES;

ACID STRENGTHS; ADSORBED INTERMEDIATES; ADSORPTION ENTHALPIES; DEPROTONATION ENERGIES; DFT; FRAMEWORK DENSITIES; MICROPOROUS ALUMINOSILICATES; PERIODIC DENSITY FUNCTIONAL THEORY;

ALUMINUM;

EID: 84942924397     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/acscatal.5b01133     Document Type: Article

References (56)

1. Corma, A. Chem. Rev. 1995, 95, 559-614 10.1021/cr00035a006
2. Gorte, R. J. Catal. Lett. 1999, 62, 1-13 10.1023/A:1019010013989
3. Jones, A. J.; Carr, R. T.; Zones, S. I.; Iglesia, E. J. Catal. 2014, 312, 58-68 10.1016/j.jcat.2014.01.007
4. Farneth, W. E.; Gorte, R. J. Chem. Rev. 1995, 95, 615-635 10.1021/cr00035a007
5. Jones, A. J.; Zones, S. I.; Iglesia, E. J. Phys. Chem. C 2014, 118, 17787-17800 10.1021/jp5050095
6. Boronat, M.; Corma, A. Catal. Lett. 2015, 145, 162-172 10.1007/s10562-014-1438-7
7. Parrillo, D. J.; Lee, C.; Gorte, R. J.; White, D.; Farneth, W. E. J. Phys. Chem. 1995, 99, 8745-8749 10.1021/j100021a046
8. Derouane, E. G. Microporous Mesoporous Mater. 2007, 104, 46-51 10.1016/j.micromeso.2007.01.003
9. Derouane, E. G. J. Catal. 1986, 100, 541-544 10.1016/0021-9517(86)90127-2
10. De Moor, B. A.; Reyniers, M. F.; Gobin, O. C.; Lercher, J. A.; Marin, G. B. J. Phys. Chem. C 2011, 115, 1204-1219 10.1021/jp106536m
11. Gounder, R.; Iglesia, E. Chem. Commun. 2013, 49, 3491-3509 10.1039/c3cc40731d
12. Rigby, A. M.; Kramer, G. J.; vanSanten, R. A. J. Catal. 1997, 170, 1-10 10.1006/jcat.1997.1574
13. Dědeček, J.; Sobalík, Z.; Wichterlová, B. Catal. Rev.: Sci. Eng. 2012, 54, 135-223 10.1080/01614940.2012.632662
14. Sklenak, S.; Dedecek, J.; Li, C.; Wichterlova, B.; Gabova, V.; Sierka, M.; Sauer, J. Phys. Chem. Chem. Phys. 2009, 11, 1237-1247 10.1039/B807755J
15. Gounder, R.; Iglesia, E. J. Am. Chem. Soc. 2009, 131, 1958-1971 10.1021/ja808292c
16. Sastre, G.; Fornes, V.; Corma, A. J. Phys. Chem. B 2002, 106, 701-708 10.1021/jp013189p
17. Brand, H. V.; Curtiss, L. A.; Iton, L. E. J. Phys. Chem. 1993, 97, 12773-12782 10.1021/j100151a024
18. Brand, H. V.; Curtiss, L. A.; Iton, L. E. J. Phys. Chem. 1992, 96, 7725-7732 10.1021/j100198a044
19. Yuan, S. P.; Wang, J. G.; Li, Y. W.; Jiao, H. J. Phys. Chem. A 2002, 106, 8167-8172 10.1021/jp025792t
20. Chatterjee, A.; Iwasaki, T.; Ebina, T.; Miyamoto, A. Microporous Mesoporous Mater. 1998, 21, 421-428 10.1016/S1387-1811(98)00051-1
21. Brandle, M.; Sauer, J. J. Am. Chem. Soc. 1998, 120, 1556-1570 10.1021/ja9729037
22. Lo, C.; Trout, B. L. J. Catal. 2004, 227, 77-89 10.1016/j.jcat.2004.06.018
23. Grajciar, L.; Arean, C. O.; Pulido, A.; Nachtigall, P. Phys. Chem. Chem. Phys. 2010, 12, 1497-1506 10.1039/b917969k
24. Kresse, G.; Hafner, J. Phys. Rev. B: Condens. Matter Mater. Phys. 1993, 47, 558-561 10.1103/PhysRevB.47.558
25. Kresse, G.; Furthmüller, J. Comput. Mater. Sci. 1996, 6, 15-50 10.1016/0927-0256(96)00008-0
26. Kresse, G.; Furthmüller, J. Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169-11186 10.1103/PhysRevB.54.11169
27. Kresse, G.; Hafner, J. Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 49, 14251-14269 10.1103/PhysRevB.49.14251
28. Hammer, B.; Hansen, L. B.; Nørskov, J. K. Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 7413-7421 10.1103/PhysRevB.59.7413
29. Blöchl, P. E. Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 50, 17953-17979 10.1103/PhysRevB.50.17953
30. Kresse, G.; Joubert, D. Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 1758-1775 10.1103/PhysRevB.59.1758
31. McQuarrie, D. A. Statistical Mechanics; University Science Books: Sausolito, 2000.
32. Baerlocher, C.; McCusker, L. B. Database of Zeolite Structures. http://www.iza-structure.org/databases/ (accessed January 8, 2014).
33. Van Koningsveld, H.; Van Bekkum, H.; Jansen, J. C. Acta Crystallogr., Sect. B: Struct. Sci. 1987, 43, 127-132 10.1107/S0108768187098173
34. Olson, D. H.; Kokotailo, G. T.; Lawton, S. L.; Meier, W. M. J. Phys. Chem. 1981, 85, 2238-2243 10.1021/j150615a020
35. Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G. Phys. Rev. Lett. 2009, 102, 016402 10.1103/PhysRevLett.102.016402
36. Bruneval, F.; Crocombette, J.-P.; Gonze, X.; Dorado, B.; Torrent, M.; Jollet, F. Phys. Rev. B: Condens. Matter Mater. Phys. 2014, 89, 045116 10.1103/PhysRevB.89.045116
37. Grimme, S. J. Comput. Chem. 2006, 27, 1787-1799 10.1002/jcc.20495
38. Haranczyk, M. Zeo++. http://www.carboncapturematerials.org/Zeo++.
39. Willems, T. F.; Rycroft, C. H.; Kazi, M.; Meza, J. C.; Haranczyk, M. Microporous Mesoporous Mater. 2012, 149, 134-141 10.1016/j.micromeso.2011.08.020
40. Gounder, R.; Jones, A. J.; Carr, R. T.; Iglesia, E. J. Catal. 2012, 286, 214-223 10.1016/j.jcat.2011.11.002
41. Ryder, J. A.; Chakraborty, A. K.; Bell, A. T. J. Phys. Chem. B 2000, 104, 6998-7011 10.1021/jp9943427
42. Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G. Phys. Status Solidi B 2011, 248, 1067-1076 10.1002/pssb.201046289
43. Eichler, U.; Brandle, M.; Sauer, J. J. Phys. Chem. B 1997, 101, 10035-10050 10.1021/jp971779a
44. Cioslowski, J.; Liu, G. H.; Castro, R. A. M. Chem. Phys. Lett. 2000, 331, 497-501 10.1016/S0009-2614(00)01209-4
45. Peng, L.; Huo, H.; Liu, Y.; Grey, C. P. J. Am. Chem. Soc. 2007, 129, 335-346 10.1021/ja064922z
46. Huo, H.; Peng, L.; Grey, C. P. J. Phys. Chem. C 2011, 115, 2030-2037 10.1021/jp109201t
47. Jones, A. J.; Iglesia, E. Angew. Chem., Int. Ed. 2014, 53, 12177-12181 10.1002/anie.201406823
48. Corma, A. Curr. Opin. Solid State Mater. Sci. 1997, 2, 63-75 10.1016/S1359-0286(97)80107-6
49. Lercher, J. A.; Grundling, C.; EderMirth, G. Catal. Today 1996, 27, 353-376 10.1016/0920-5861(95)00248-0
50. Kramer, G. J.; Van Santen, R. A. J. Am. Chem. Soc. 1993, 115, 2887-2897 10.1021/ja00060a042
51. Wang, C.-M.; Brogaard, R. Y.; Weckhuysen, B. M.; Nørskov, J. K.; Studt, F. J. Phys. Chem. Lett. 2014, 5, 1516-1521 10.1021/jz500482z
52. Parrillo, D. J.; Gorte, R. J. J. Phys. Chem. 1993, 97, 8786-8792 10.1021/j100136a023
53. Teunissen, E. H.; Van Duijneveldt, F. B.; Van Santen, R. A. J. Phys. Chem. 1992, 96, 366-371 10.1021/j100180a068
54. Carr, R. T.; Neurock, M.; Iglesia, E. J. Catal. 2011, 278, 78-93 10.1016/j.jcat.2010.11.017
55. Deshlahra, P.; Carr, R. T.; Iglesia, E. J. Am. Chem. Soc. 2014, 136, 15229-15247 10.1021/ja506149c
56. Xu, B.; Sievers, C.; Hong, S. B.; Prins, R.; van Bokhoven, J. A. J. Catal. 2006, 244, 163-168 10.1016/j.jcat.2006.08.022