The three-dimensional structure of the titanium-centered active site during steady-state catalytic epoxidation of alkenes

Journal of Physical Chemistry B

Volumn 105, Issue 38, 2001, Pages 9028-9030

  Sankar, Gopinathan ^a   Thomas, John Meurig ^a,b   Catlow, C Richard A ^a   Barker, Carolyn M ^a   Gleeson, David ^a   Kaltsoyannis, Nikolas ^c  

^a DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYTIC EPOXIDATION;

CATALYSIS; CATALYSTS; ELECTROMAGNETIC WAVE ABSORPTION; MOLECULAR STRUCTURE; OXIDATION; PROBABILITY DENSITY FUNCTION; TITANIUM;

MOLECULAR PHYSICS;

EID: 0035960205     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp011979t     Document Type: Article

References (33)

1. (a) Taramasso, M.; Perogo, G.; Notari, B. U.S. Patent No 4410501, 1983.
2. (b) Notari, B. Adv. Catal. 1996, 41, 253.
3. (a) Murugavel, R.; Roesky, H.W. Angew. Chem., Int. Ed. Engl. 1997, 36, 447.
4. (b) Hutchings, G.J. Chem. Commun. 1999, 301.
5. (b) Haggin, J. Chem. Eng. News 1995, 13, 6.
6. (b) Haggin, J. Chem. Eng. News 1995, 13, 6.
7. Thomas, J.M. Faraday Discuss. 1996, 105, 1.
8. (a) Sankar, G.; Thomas, J.M. Top. Catal. 1999, 8, 1.
9. (b) Sankar, G.; Thomas, J.M.; Catlow, C.R.A. Top. Catal. 2000, 10, 255.
10. (c) Thomas, J.M.; Sankar, G. Acc. Chem. Res., in press.
11. Thomas, J.M.; Sankar, G.; Klunduk, M.C.; Attfield, M.P.; Maschmeyer, T.; Johnson, B.F.G.; Bell, R.G. J. Phys. Chem. B 1999, 103, 8809.
12. Cracker, M.; Herold, R.H.M.; Orpen, A.G. Chem. Commun. 1997, 241.
13. Kresge, C.T.; Leonowicz, M.E.;. Roth, W.J.; Vartuli, J.; Beck, J.S. Nature 1992, 359, 710.
14. TBHP was reacted with a freshly calcined catalyst at 25 °C for 1 h. The white catalyst turned yellow in color during this reaction. This reacted material was used for the Ti K-edge XAS measurements.
15. 11 refers to a mesoporous silica (MCM-41) in which the Ti(IV) active sites have been grafted onto the inner surface such that the Ti atoms stand proud of the surface (see Figure 1 of ref 11 for a color representation of Ti↑MCM41 and Ti → MCM41, where the Ti atoms are in the walls of the silica).
16. Oldroyd, R.D.; Thomas, J.M.; Maschmeyer, T.; Macfaul, P.A.; Snelgrove, D.W.; Ingold, K.U.; Wayner, D.D.M. Angew. Chem., Int. ed. Engl. 1996, 35, 2787.
17. Bordiga, S.; Boscherini, F.; Coluccia, S.; Genoni, F.; Lamberti, C.; Leofanti, G.; Marchese, L.; Petrini, G.; Vlace, G.; Zecchina, A. Catal. Lett. 1994, 26, 195.
18. Gleeson, D.; Sankar, G.; Catlow, C.R.A.; Thomas, J.M.; Spano, G.; Bordiga, S.; Zecchina, A.; Lamberti, C. Phys. Chem. Chem. Phys. 2000, 2, 4812.
19. Blasco, T.; Camblor, M.A.; Corma, A.; Perez Pariente, J. J. Am. Chem. Soc. 1993, 115, 11806.
20. (a) Jentys, A.; Warecka, G.; Denewnsky, M.; Lercher, J.A.; J. Phys. Chem. 1989, 93, 4837.
21. (b) Huybrechts, D.R.C.; Li, H.X.; Jacobs, P.A. Catal. Lett. 1991, 8, 237.
22. Sinclair, P.E.; Catlow, C.R.A. J. Phys. Chem. B 1999, 103, 1084.
23. Koningsberger, D.C., Prins, R., Eds. In X-ray Absorption, Principles, Applications and Techniques of EXAFS, SEXAFS and XANES; Wiley: New York, 1988. Yamashita, H.; Ichihashi, Y.; Anpo, M.; Hashimoto, M.; Louis, C.; Che, M. J. Phys. Chem. 1996, 100, 16041.
24. Koningsberger, D.C., Prins, R., Eds. In X-ray Absorption, Principles, Applications and Techniques of EXAFS, SEXAFS and XANES; Wiley: New York, 1988. Yamashita, H.; Ichihashi, Y.; Anpo, M.; Hashimoto, M.; Louis, C.; Che, M. J. Phys. Chem. 1996, 100, 16041.
25. Farges, F.; Brown, G.E.; Rehr, J.J.; Geochim. Cosmochim. Acta 1996, 60, 3023, Mountjoy, G.; Pickup, D.M.; Wallidge, G.W.; Anderson, R.; Cole, J.M.; Newport, R.J.; Smith, M.E. Chem. Mater. 1999, 11, 1253.
26. Farges, F.; Brown, G.E.; Rehr, J.J.; Geochim. Cosmochim. Acta 1996, 60, 3023, Mountjoy, G.; Pickup, D.M.; Wallidge, G.W.; Anderson, R.; Cole, J.M.; Newport, R.J.; Smith, M.E. Chem. Mater. 1999, 11, 1253.
27. Sankar, G.; Rey, F.; Thomas, J.M.; Corma, A.; Greaves, G.N.; Dent, A.J.; Dobson, B. J. Chem. Soc. Chem. Commun. 1994, 2279. Thomas, J.M.; Greaves, G.N. Science. 1994, 265, 1675.
28. Sankar, G.; Rey, F.; Thomas, J.M.; Corma, A.; Greaves, G.N.; Dent, A.J.; Dobson, B. J. Chem. Soc. Chem. Commun. 1994, 2279. Thomas, J.M.; Greaves, G.N. Science. 1994, 265, 1675.
29. Barker, C.M.; Catiow, C.R.; A. Kaltsoyannis, N.; Gleeson, D.; Sankar, G.; Thomas, J.M. Manuscript in preparation.
30. 4.1, Oxford Molecular Inc. Becke, A. Phys. Rev. A. 1988, 38, 3098. Perdew, J.; Wang, Y. Phys. Rev. B. 1986, 33, 8800.
31. 4.1, Oxford Molecular Inc. Becke, A. Phys. Rev. A. 1988, 38, 3098. Perdew, J.; Wang, Y. Phys. Rev. B. 1986, 33, 8800.
32. Roberts, M.A.; Sankar, G.; Thomas, J.M.; Jones, R.H.; Du, H.; Chen, J.; Pang, W.; Xu, R. Nature 1996, 381, 401.
33. Sankar, G.; Bell, R.G.; Thomas, J.M.; Anderson, M.W.; Wright, P.A.; Rocha, J. J. Phys. Chem. 1996, 100, 449.