Structure and relative Lewis acidity of the catalytic sites of an aluminium-modified silica gel: A theoretical study

Journal of Molecular Catalysis A: Chemical

Volumn 119, Issue 1-3, 1997, Pages 95-103

  Fraile, José M ^a   García, José I ^a   Mayoral, José A ^a   Pires, E ^a  

^a UNIVERSITY OF ZARAGOZA   (Spain)

Author keywords

Ab initio calculations; Aluminium supported silica; Diels Alder; Solid Lewis acid

Indexed keywords

EID: 0030954354     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1381-1169(96)00473-6     Document Type: Article

References (20)

1. B.L. Shapiro (Ed.), Heterogeneous Catalysis by Novel Solid Strong Acids and Superacids, Texas A&M University Press, College Station, TX, 1984, pp. 1-94.
2. K. Smith (Ed.), Solid Supports and Catalysis in Organic Synthesis (Ellis Horwood, Chichester, 1992); B. Delmon and J.T. Yates (Adv. Eds.), Proc. of the Heterogeneous Catalysis and Fine Chemicals Symposia, Studies in Surface Science and Catalysis series (Elsevier).
3. K. Smith (Ed.), Solid Supports and Catalysis in Organic Synthesis (Ellis Horwood, Chichester, 1992); B. Delmon and J.T. Yates (Adv. Eds.), Proc. of the Heterogeneous Catalysis and Fine Chemicals Symposia, Studies in Surface Science and Catalysis series (Elsevier).
4. C. Cativiela, J.M. Fraile, J.I. García, J.A. Mayoral, E. Pires, A.J. Royo, F. Figueras and L.C. de Mènorval, Tetrahedron 49 (1993) 4073.
5. C. Cativiela, F. Figueras, J.I. García, J.A. Mayoral, E. Pires and A.J. Royo, Tetrahedron: Asymmetry 4 (1993) 621.
6. C. Cativiela, J.I. García, J.A. Mayoral, E. Pires, A.J. Royo and F. Figueras, Tetrahedron 51 (1995) 1295.
7. C. Cativiela, J.I. García, J.A. Mayoral, E. Pires and R. Brown, Tetrahedron 51 (1995) 9217.
8. J.I. García, J.A. Mayoral, E. Pires, D.R. Brown and J. Massam, Catal. Lett. 37 (1996) 261.
9. J.M. Fraile, J.I. García, J.A. Mayoral, E. Pires, T. Tarnai and F. Figueras, Appl. Catal. A 136 (1996) 113.
10. C. Cativiela, J.I. García, J.A. Mayoral, E. Pires, A.J. Royo and F. Figueras, Appl. Catal. A 131 (1995) 159.
11. M.J.S. Dewar and W. Thiel, J. Am. Chem. Soc. 99 (1977) 4899 and 4907.
12. M.J.S. Dewar, E.G. Zoebisch, E.F. Healy and J.J.P. Stewart, J. Am. Chem. Soc. 107 (1985) 3902.
13. J.J.P. Stewart, MOPAC 6.0, QCPE 455.
14. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, Gaussian 94, Revision B.1 (Gaussian, Inc., Pittsburgh, PA, 1995).
15. S. Sato and G.E. Maciel, J. Mol. Catal. A 101 (1995) 153.
16. T.J. LePage and K.B. Wiberg, J. Am. Chem. Soc. 110 (1988) 6642.
17. P.G. Jasien, J. Phys. Chem. 96 (1992) 9273.
18. V. Branchadell, A. Sbai and A. Oliva, J. Phys. Chem. 99 (1995) 6472.
19. M.J.S. Dewar and A.J. Holder, Organometallics 9 (1990) 508, and references cited therein.
20. E.R. Davidson and D. Feller, Chem. Rev. 86 (1986) 681.