Computational and fourier transform infrared spectroscopic studies on carbon monoxide adsorption on the zeolites Na-ZSM-5 and K-ZSM-5: Evidence of dual-cation sites

Journal of Physical Chemistry C

Volumn 112, Issue 12, 2008, Pages 4658-4666

  Areán, C Otero ^a   Delgado, M Rodríguez ^a   Frolich, K ^b   Bulanek R ^b   Pulido, A ^c   Bibiloni, G Fiol ^a   Nachtigall, P ^c  

^a UNIVERSITAT DE LES ILLES BALEARS   (Spain)

^b UNIVERSITY OF PARDUBICE   (Czech Republic)

^c INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ADSORPTION; CARBON MONOXIDE; DENSITY FUNCTIONAL THEORY; DEPOSITS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; INFRARED SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; SILICATE MINERALS; SPECTROSCOPIC ANALYSIS; ZEOLITES;

ADSORBED CO; ADSORPTION ENTHALPIES; CARBON MONOXIDE ADSORPTION; CATION SITES; FOURIER TRANSFORM INFRARED (FT-IR); FOURIER TRANSFORM INFRARED SPECTROSCOPY (MIT FTIR); INTERMEDIATE FREQUENCY (IF); IR ABSORPTION; NA-ZSM-5; PERIODIC DENSITY FUNCTIONAL THEORY (DFT); VARIABLE TEMPERATURE (VT);

FOURIER TRANSFORMS;

EID: 47049124757     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp7109934     Document Type: Article

References (41)

1. Zecchina, A.; Arean, C. O. Chem. Soc. Rev. 1996, 25, 187.
2. Hadjiivanov, K. I.; Vayssilov, G. N. Adv. Catal. 2002, 47, 307.
3. Tsyganenko, A. A.; Platero, E. E.; Arean, C. O.; Garrone, E.; Zecchina, A. Catal. Lett. 1999, 61, 187.
4. Knozinger, H.; Huber, S. J. Chem. Soc., Faraday Trans. 1998, 94, 2047.
5. Arean, C. O.; Manoilova, O. V.; Delgado, M. R.; Tsyganenko, A. A.; Garrone, E. Phys. Chem. Chem. Phys. 2001, 3, 4187.
6. Garrone, E.; Bulanek, R.; Frolich, K.; Arean, C. O.; Delgado, M. R.; Palomino, G. T.; Nachtigallova, D.; Nachtigall, P. J. Phys. Chem. B 2006, 110, 22542.
7. Nachtigall, P.; Rodriguez Delgado, M.; Frolich, K.; Bulanek, R.; Turnes Palomino, G.; Lopez Bauca, C.; Otero Arean, C. Microporous Mesoporous Mater. 2007, 106, 162.
8. Salla, I.; Montanari, T.; Salagre, P.; Cesteros, Y.; Busca, G. J. Phys. Chem. B 2005, 109, 915.
9. Salla, I.; Montanari, T.; Salagre, P.; Cesteros, Y.; Busca, G. Phys. Chem. Chem. Phys. 2005, 7, 2526.
10. Montanari, T.; Kozyra, P.; Salla, I.; Datka, J.; Salagre, P.; Busca, G. J. Mater. Chem. 2006, 16, 995.
11. Treacy, M. M. J.; Higgins, F. M. Collection of Simulated XRD Powder Patterns for Zeolites; Elsevier: Amsterdam, 2001.
12. Tsyganenko, A. A.; Storozhev, P. Y.; Arean, C. O. Kinet. Catal. 2004, 45, 530.
13. Arean, C. O.; Manoilova, O. V.; Tsyganenko, A. A.; Palomino, G. T.; Mentruit, M. P.; Geobaldo, F.; Garrone, E. Eur. J. Inorg. Chem. 2001, 1739.
14. Kucera, J.; Nachtigall, P. Phys. Chem. Chem. Phys. 2003, 5, 3311.
15. Birch, F. Phys. Rev. 1947, 71, 809.
16. Lermer, H.; Draeger, M.; Steffen, J.; Unger, K. K. Zeolites 1985, 5, 131.
17. Nachtigallova, D.; Nachtigall, P.; Sierka, M.; Sauer, J. Phys. Chem. Chem. Phys. 1999, 1, 2019.
18. Spuhler, P.; Holthausen, M. C.; Nachtigallova, D.; Nachtigall, D.; Sauer, J. Chem.-Eur. J. 2002, 8, 2099.
19. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 48, 13115.
20. Kresse, G.; Hafner, J. Phys. Rev. B 1994, 49, 14251.
21. Kresse, G.; Furthmuller, J. Phys. Rev. B 1996, 54, 11169.
22. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
23. Blochl, P. E. Phys. Rev. B 1994, 50, 17953.
24. Kresse, G.; Joubert, D. Phys. Rev. B 1999, 59, 1758.
25. Bludsky, O.; Silhan, M.; Nachtigallova, D.; Nachtigall, P. J. Phys. Chem. A 2003, 107, 10381.
26. Bludsky, O.; Silhan, M.; Nachtigall, P. J. Chem. Phys. 2002, 117, 9298.
27. Nachtigallova, D.; Nachtigall, P.; Bludsky. O. Phys. Chem. Chem. Phys. 2004, 6, 5580.
28. Bulanek, R.; Drobna, H.; Nachtigall, P.; Rubes, M.; Bludsky, O. Phys. Chem. Chem. Phys. 2006, 8, 5535.
29. Loffreda, D.; Simon, D.; Sautet, P. Surf. Sci. 1999, 425, 68.
30. Sauer, J.; Sierka, M. J. Comput. Chem. 2000, 21, 1470.
31. Arean, C. O.; Tsyganenko, A. A.; Platero, E. E.; Garrone, E.; Zecchina, A. Angew. Chem., Int. Ed. 1998, 37, 3161.
32. Lupinetti, A. J.; Fau, S.; Frenking, G.; Strauss, S. H. J. Phys. Chem. A 1997, 101, 9551.
33. Goldman, A. S.; Krogh-Jespersen, K. J. Am. Chem. Soc. 1996, 118, 12159.
34. Nachtigallova, D.; Bludsky, O.; Arean, C. O.; Bulanek, R.; Nachtigall, P. Phys. Chem. Chem. Phys. 2006, 8, 4849.
35. Garrone, E.; Arean, C. O. Chem. Soc. Rev. 2005, 34, 846.
36. Manoilova, O. V.; Mentruit, M. P.; Palomino, G. T.; Tsyganenko, A. A.; Arean, C. O. Vibr. Spectrosc. 2001, 26, 107.
37. Nachtigall, P.; Frolich, K.; Drobna, H.; Bludsky, O.; Nachtigallova, D.; Bulanek, R. J. Phys. Chem. C 2007, 111, 11353.
38. Arean, C. O.; Nachtigallova, D.; Nachtigall, P.; Garrone, E.; Delgado, M. R. Phys. Chem. Chem. Phys. 2007, 9, 1421.
39. Kucera, P.; Nachtigall, P. Collect. Czech. Chem. Commun. 2003, 68, 1848.
40. Arean, C. O.; Delgado, M. R.; Bauca, C. L.; Vrbka, L.; Nachtigall, P. Phys. Chem. Chem. Phys. 2007, 9, 4657.
41. Koningsveld, H. v.; Jansen, J. C.; Bekkum, H. v. Acta Crystallogr. 1987, 7, 564.