A density functional study of CO adsorption on three- and five-coordinate Al in oxide systems

Catalysis Letters

Volumn 40, Issue 3-4, 1996, Pages 183-188

  Neyman, Konstantin M ^a   Nasluzov, Vladimir A ^a,c   Zhidomirov, Georgii M ^b  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

^c INSTITUTE OF CHEMISTRY AND CHEMICAL TECHNOLOGY   (Russian Federation)

Author keywords

Adsorption induced frequency shifts; Cluster models; CO probe; Coordinatively unsaturated Al ions; Density functional calculations; Lewis acidity

Indexed keywords

EID: 0000062813     PISSN: 1011372X     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF00815280     Document Type: Article

References (33)

1. H. Knözinger, in: Adsorption on Ordered Surfaces of Ionic Solids and Thin Films, Springer Series in Surface Sciences, Vol. 33, eds. H.-J. Freund and E. Umbach (Springer, Berlin, 1993) p. 257.
2. A. Zecchina, E.E. Platero and C.O. Areán, J. Catal. 107 (1987) 244.
3. E.A. Paukshtis, R.I. Soltanov and E.N. Yurchenko, React. Kinet. Catal. Lett. 16 (1981) 93.
4. L.M. Kustov, V.B. Kazansky, S. Beran, L. Kubelková and P. Jiru, J. Phys. Chem. 91 (1987) 5247.
5. M.B. Fleisher, L.O. Golender and M.V. Shimanskaya, J. Chem. Soc. Faraday Trans. 87 (1991) 745.
6. M. Lindblad and T.A. Pakkanen, Surf. Sci. 286 (1993) 333.
7. H. Tochikawa and T. Tsuchida, J. Mol. Catal. A 96 (1995) 277.
8. A.G. Pelmenshchikov, R.A. van Santen, J. Jänchen and E. Meijer, J. Phys. Chem. 97 (1993) 11071.
9. S. Bates and J. Dwyer, J. Phys. Chem. 97 (1993) 5897.
10. A.G. Pelmenshchikov, I.N. Senchenya, G.M. Zhidomirov and V.B. Kazansky, Kinet. Katal. 24 (1983) 230.
11. E.A. Paukshtis, Infrared Spectroscopy in Heterogeneous Acid-Basic Catalysis (Nauka, Novosivbirsk, 1992) p. 256 (in Russian).
12. B.I. Dunlap and N. Rösch, Adv. Quantum Chem. 21 (1990) 317.
13. S.H. Vosko, L. Wilk and M. Nusair, Can. J. Phys. 58 (1980) 1200.
14. A.D. Becke, Phys. Rev. A 38 (1988) 3098.
15. C. Lee, W. Yang and R.G. Parr, Phys. Rev. B 37 (1988) 785.
16. B. Miehlich, A. Savin, H. Stoll and H. Preuss, Chem. Phys. Lett. 157 (1989) 200.
17. L. Fan and T. Ziegler, J. Chem. Phys. 94 (1991) 6057.
18. K.M. Neyman, P. Strodel, S.P. Ruzankin, N. Schlensog, H. Knözinger and N. Rösch, Catal. Lett. 31 (1995) 273.
19. P. Strodel, K.M. Neyman, H. Knözinger and N. Rösch, Chem. Phys. Lett. 240 (1995) 547.
20. K.M. Neyman, S.P. Ruzankin and N. Rösch, Chem. Phys. Lett. 246 (1995) 546.
21. S.F. Boys and F. Bernardi, Mol. Phys. 19 (1970) 553.
22. P.S. Bagus, K. Hermann and C.W. Bauschlicher, J. Chem. Phys. 80 (1984) 4378.
23. K. Albert, K.M. Neyman, V.A. Nasluzov, S.P. Ruzankin, C. Yeretzian and N. Rösch, Chem. Phys. Lett. 245 (1995) 671.
24. R.W.G. Wyckoff, Crystal Structures, 2nd Ed., Vol. 4 (Interscience, New York, 1968).
25. K.M. Neyman and N. Rösch, Chem. Phys. 168 (1992) 267.
26. K.M. Neyman and N. Rösch, Ber. Bunsenges. Phys. Chem. 96 (1992) 1711.
27. G. Pacchioni, G. Cogliandro and P.S. Bagus, Int. J. Quantum Chem. 42 (1992) 1115.
28. H. Knözinger and P. Ratnasamy, Catal. Rev. Sci. Eng. 17 (1978) 31.
29. C. Morterra, S. Coluccia, E. Garrone and G. Ghiotti, J. Chem. Soc. Faraday Trans. 175 (1979) 289.
30. V. Gruver and J.J. Fripiat, J. Phys. Chem. 98 (1994) 8549.
31. D. Coster, A.L. Blumenfeld and J.J. Fripiat, J. Phys. Chem. 98 (1994) 6201.
32. N. Rösch, in: Cluster Models for Surface and Bulk Phenomena, NATO ASI Series B, eds. G. Pacchioni, P.S. Bagus and F. Parmigiani (Plenum Press, New York, 1992) p. 251.
33. E. Keller, Program SCHAKAL 92, Kristallographisches Institut der Universität Freiburg, Germany (1992).