Infrared investigation of fluoride occluded in double four-member rings in zeolites

Journal of Physical Chemistry B

Volumn 106, Issue 10, 2002, Pages 2796-2800

  Villaescusa, Luis A ^a,b   Márquez, Francisco M ^a   Zicovich Wilson, Claudio M ^a,c   Camblor, Miguel A ^a,d  

^a CSIC   (Spain)

^b UNIVERSITAT POLITÈCNICA DE VALÈNCIA   (Spain)

^c UNIVERSIDAD AUTÓNOMA DEL ESTADO DE MORELOS   (Mexico)

^d Polígono de Malpica ^*  (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

INFRARED ABSORPTION BANDS;

APPROXIMATION THEORY; CALCINATION; COMPUTATIONAL METHODS; CRYSTAL IMPURITIES; CRYSTALLINE MATERIALS; FLUORINE COMPOUNDS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; HAMILTONIANS; INFRARED RADIATION; LIGHT ABSORPTION; NEGATIVE IONS; NUCLEAR MAGNETIC RESONANCE; OPTIMIZATION; PERTURBATION TECHNIQUES; SYNTHESIS (CHEMICAL); VAN DER WAALS FORCES;

ZEOLITES;

EID: 0037076080     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp013190o     Document Type: Article

References (26)

1. McCusker, L.B.; Grosse-Kunstleve, R.W.; Baerlocher, Ch.; Yoshikawa, M.; Davis, M.E. Microporous Mater. 1996, 6, 295.
2. Camblor, M.A.; Díaz-Cabañas, M.J.; Perez-Pariente, J.; Teat, S.J.; Clegg, W.; Shannon, I.J.; Lightfoot, P.; Wright, P.A.; Morris, R.E. Angew. Chem., Int. Ed. Engl. 1998, 37, 212.
3. Baerlocher, C.; Meier, W.M.; Olson, D.H. Atlas of Zeolite Framework Types, 5th ed.; Elsevier: Amsterdam, 2001.
4. Bibby, D.M.; Dale, M.P. Nature 1985, 317, 157.
5. Bialek, R.; Meier, W.M.; Davis, M.; Annen, M.J. Zeolites 1991, 11, 438.
6. Caullet, P.; Guth, J.L.; Hazm, J.; Lamblin, J.M.; Gies, H. Eur. J. Solid State Inorg. Chem. 1991, 28, 345.
7. Villaescusa, L.A.; Barrett, P.A.; Camblor, M.A. Angew. Chem., Int. Ed. Engl. 1999, 38, 1997.
8. Villaescusa, L.A.; Barrett, P.A.; Camblor, M.A. Chem. Mater. 1998, 12, 3966.
9. Villaescusa, L.A. Ph.D. Thesis, Universidad Politécnica de Valencia, 1999.
10. Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Gill, P.M.W.; Johnson, B.G.; Robb, M.A.; Cheeseman, J.R.; Keith, T.; Petersson, G.A.; Montgomery, J.A.; Raghavachari, K.; Al-Laham, M.A.; Zakrzewski, V.G.; Ortiz, J.V.; Foresman, J.B.; Cioslowski, J.; Stefanov, B.B.; Nanayakkara, A.; Challacombe, M.; Peng, C.Y.; Ayala, P.Y.; Chen, W.; Wong, M.W.; Andres, J.L.; Replogle, E.S.; Gomperts, R.; Martin, R.L.; Fox, D.J.; Binkley, J.S.; Defrees, D.J.; Baker, J.; Stewart, J.P.; Head-Gordon, M.; Gonzalez, C.; Pople, J.A. Gaussian 94, Revision E.1; Gaussian, Inc.: Pittsburgh, PA, 1995.
11. Hariharan, P.C.; Pople, J.A., Chem. Phys. Lett. 1972, 16, 217.
12. Becke, A.D. J. Chem. Phys. 1993, 98, 5648.
13. Perdew, J.P.; Wang, Y. Phys. Rev. B 1992, 45, 13244.
14. Boronat, M.; Zicovich-Wilson, C.M.; Viruela, P.; Corma, A. Chem. Eur. J. 2001, 7, 1295.
15. Boronat, M.; Viruela, P.; Corma, A. J. Phys. Chem. B 1998, 102, 9863.
16. Uzunova, E.L.; Nikolov, G.St. J. Phys. Chem. B 2000, 104, 7299.
17. Dutta, P.K.; Del Barco, B. J. Phys. Chem. 1988, 92, 354.
18. No, K.T.; Bae, D.H.; Jhon, M.S. J. Phys. Chem. 1986, 90, 1772.
19. No, K.T.; Seo, B.H.; Jhon, M.S. Theor. Chim. Acta 1989, 75, 307.
20. Iyer, K.A.; Singer, S.J. J. Phys. Chem. 1994, 98, 12679.
21. van Santen, R.A.; Vogel, D.L. Adv. Solid-State Chem. 1989, 1, 151.
22. de Man, A.J.M.; van Santen, R.A. Zeolites 1992, 12, 269.
23. B'ärtsch, M.; Bornhauser, P.; Calzaferri, G.; Imhof, R. J. Phys. Chem. 1994, 98, 2817.
24. Marcolli, C.; Lainé, P.; Bühler, R.; Calzaferri, G.; Tomkinson, J. J. Phys. Chem. 1997, 101, 1171.
25. Zicovich-Wilson, C.M.; Planelles, J.; Jaskolski, W. Int. J. Quantum Chem. 1994, 50, 429.
26. Pazé, C.; Civalleri, B.; Bordiga, S.; Zecchina, A. J. Phys. Chem. B 1998, 102, 10753.