Adsorption of activated ketones on platinum and their reactivity to hydrogenation: A DFT study

Journal of Catalysis

Volumn 222, Issue 2, 2004, Pages 439-449

  Vargas, Angelo ^a   Bürgi, Thomas ^a,b   Baiker, Alfons ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITÉ DE NEUCHÂTEL   (Switzerland)

Author keywords

Adsorption; DFT; Hydrogenation; Ketones; Platinum

Indexed keywords

ESTER; KETONE DERIVATIVE; PLATINUM;

ADSORPTION; ARTICLE; ATOM; CHEMICAL MODEL; CINCHONA; ENANTIOSELECTIVITY; FLUORINATION; HYDROGENATION; RELATIVE DENSITY; STRUCTURE ANALYSIS; SUBSTITUTION REACTION;

EID: 1542298168     PISSN: 00219517     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jcat.2003.12.006     Document Type: Article

References (61)

1. Baiker A., Blaser H.U. Ertl G., Knözinger H., Weitkamp J. Handbook of Heterogeneous Catalysis, vol. 5. 1997;2422 VCH, Weinheim, Germany.
2. Blaser H.U., Jalett H.P., Müller M., Studer M. Catal. Today. 37:1997;441.
3. Baiker A., Mol J. Catal. A: Chem. 115:1997;473.
4. Wells P.B., Wilkinson A.G. Top. Catal. 5:1998;39.
5. Baiker A. Curr. Opin. Solid State Mater. Sci. 3:1998;86.
6. Baiker A. J. Mol. Catal. A: Chem. 163:2000;205.
7. Tai A., Harada T. Tailored Metal Catalysts. 1986;265 Reidel, Dordrecht. and references therein.
8. Osawa T., Harada T., Takayasu O. Top. Catal. 13:2000;155.
9. Hutchings G.J. Chem. Commun. 1999;301.
10. Smith G.V., Notheisz F. Heterogeneous Catalysis in Organic Chemistry. 1999;Academic Press, San Diego.
11. Nitta Y., Kobiro K. Chem. Lett. 1996;897.
12. Borszeky K., Mallat T., Baiker A. Tetrahedron: Asym. 8:1997;3745.
13. Huck W.R., Mallat T., Baiker A. J. Catal. 193:2000;1.
14. Mallat T., Bodmer M., Baiker A. Catal. Lett. 44:1997;95.
15. Bodmer M., Mallat T., Baiker A. Herkes F.E. Catalysis in Organic Reactions. 1998;75 Dekker, New York.
16. Vargas A., Bürgi T., Baiker A. New J. Chem. 26:2002;807.
17. Vargas A., Bürgi T., von Arx M., Hess R., Baiker A. J. Catal. 20:2002;489.
18. ADF - Amsterdam Density Functional, Release 2002-01, Scientific Computing and Modelling NV, Vrije Universiteit, Theoretical Chemistry, Amsterdam
19. Saeys M., Reyniers M.-F., Marin G.B., Neurock M. J. Phys. Chem. 106:2002;7489.
20. Philipsen P.H.T., vanLenthe E., Snijders J.G., Baerends E.J. Phys. Rev. B. 56:1997;13556.
21. Pacchioni G., Chung S.C., Kruger S., Rosch N. Surf. Sci. 392:1997;173.
22. van Lenthe E., Baerends E.J., Snijders J.G. J. Chem. Phys. 99:1993;4597.
23. van Lenthe E., Baerends E.J., Snijders J.G. J. Chem. Phys. 101:1994;9783.
24. van Lenthe E., Baerends E.J., Snijders J.G. J. Chem. Phys. 105:1996;6505.
25. van Lenthe E., van Leeuwen R., Baerends E.J., Snijders J.G. Int. J. Quantum Chem. 57:1996;281.
26. van Lenthe E., Baerends E.J., Snijders J.G. J. Chem. Phys. 110:1999;8943.
27. Snijders J.G., Baerends E.J., Ros P. Mol. Phys. 38:1979;1909.
28. te Velde G., Bickelhaupt F.M., Baerends E.J., Fonseca Guerra C., Van Gisbergen S.J.A., Snijders J.G., Ziegler T. J. Comput. Chem. 22:2001;931.
29. Vosko S.H., Wilk L., Nusair M. Can. J. Phys. 58:1980;1200.
30. Becke A.D. Phys. Rev. A. 38:1988;3098.
31. Perdew J.P. Phys. Rev. B. 33:1986;8822.
32. Somorjai G.A. Introduction to Surface Chemistry and Catalysis. 1994;Wiley, New York.
33. Schaftenaar G., Noordik J.H. J. Comput.-Aided Mol. Design. 14:2000;123.
34. von Arx M., Mallat T., Baiker A. Tetrahedron: Asym. 12:2001;3089.
35. M. von Arx, Doctoral thesis, Swiss Federal Institute of Technology, Zurich, No. 14322, 2001
36. von Arx M., Mallat T., Baiker A. Sherrington D.C., Kybett A.P. Supported Catalysts and their Applications. 2001;247 Royal Society of Chemistry Special Publication, Cambridge.
37. Avery N.R., Weinberg W.H., Anton A.B., Toby B.H. Phys. Rev. Lett. 51:1983;682.
38. Avery N.R. Surf. Sci. 125:1983;771.
39. Anton A.B., Avery N.R., Toby B.H., Weinberg W.H. J. Am. Chem. Soc. 108:1986;684.
40. Neurock M., Pallassana V. Truhlar D.G., Morokuma K. Transition State Modeling for Catalysis. ACS Symposium Series. vol. 721:1999;226. Chap. 18.
41. Neurock M., van Santen R.A. J. Phys. Chem. B. 104:2000;11127.
42. Christmann K., Ertl G., Pignet T. Surf. Sci. 54:1976;365.
43. Horiuti J., Polanyi M. Trans. Faraday Soc. 30:1934;1164.
44. Y. Orito, S. Imai, S. Niwa, Collected papers of the 43rd Catalysis Forum, Japan, 1978, p. 30
45. Orito Y., Imai S., Niwa S., Nguyen G.H. J. Synth. Org. Chem. Jpn. 37:1979;173.
46. Orito Y., Imai S., Niwa S. J. Chem. Soc. Jpn. 1979;1118. (1980) 670, (1982) 137.
47. Castonguay M., Roy J.R., Rochefort A., McBreen P.H. J. Am. Chem. Soc. 122:2000;518.
48. Bürgi T., Atamny F., Knop-Gericke A., Hävecker M., Schedel-Niedrig T., Schlögl R., Baiker A. Catal. Lett. 66:2000;109.
49. Bürgi T., Atamny F., Schlögl R., Baiker A. J. Phys. Chem. B. 104:2000;5953.
50. Bonello J.M., Williams F.J., Santra A.K., Lambert R.M. J. Phys. Chem. B. 104:2000;9696.
51. Boys S.F., Bernardi F. Mol. Phys. 19:1970;553.
52. Vermeer W.A.H., Fulford A., Johnston P., Wells P.B. Chem. Commun. 1993;1053.
53. Studer M., Okafor V., Blaser H.U. Chem. Commun. 1998;1053.
54. Toukoniitty E., Mäki-Arvela P., Kuzma M., Villela A., Neyestanaki A.K., Salmi T., Sjöholm R., Leino R., Laine E., Murzin D.J. J. Catal. 204:2001;281.
55. Sonderegger O.J., Bürgi T., Baiker A. J. Catal. 215:2003;116.
56. Török B., Felföldi K., Balázsik K., Bartók M. Chem. Commun. 1999;1725.
57. Studer M., Burkhardt S., Blaser H.U. Chem. Commun. 1999;1727.
58. Studer M., Blaser H.U., Burkhardt S. Adv. Synth. Catal. 344:2002;511.
59. de Souza P.R.N., Aranda D.A.G., de M.Carneiro J.W., de Oliveira C.da S.B., Antunes O.A.C., Passos F.B. Int. J. Quantum Chem. 92:2003;400.
60. Xu C., Tsai Y.L., Koel B.E. J. Phys. Chem. 98:1994;585.
61. Campbell J.M., Seimanides S.G., Campbell C.T. J. Phys. Chem. 93:1989;815.