Energetics of acrolein hydrogenation on Pt(1 1 1) and Ag(1 1 1) surfaces: A BOC-MP model study

Journal of Molecular Catalysis A: Chemical

Volumn 208, Issue 1-2, 2004, Pages 167-174

  Khanra, B C ^a,b   Jugnet, Y ^a   Bertolini, J C ^a  

^a CNRS   (France)

^b SAHA INSTITUTE OF NUCLEAR PHYSICS   (India)

Author keywords

Acrolein; BOC MP model; DFT; Propanal; , unsaturated aldehydes

Indexed keywords

CATALYST SELECTIVITY; CHEMICAL BONDS; GOLD; HYDROGENATION; MOLECULAR ORIENTATION; PLATINUM;

ACROLEIN CONVERSION;

CATALYST ACTIVITY;

ACROLEIN; ALDEHYDE DERIVATIVE; ALLYL ALCOHOL; CARBON; SILVER DERIVATIVE;

ACCURACY; ALLYLATION; ARTICLE; CHEMICAL BOND; COMPARATIVE STUDY; COMPLEX FORMATION; ENERGY TRANSFER; EXPERIMENTAL TEST; HYDROGENATION; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; MOLECULAR MODEL; OXYGEN SATURATION; PREDICTION; QUALITATIVE ANALYSIS; REACTION ANALYSIS; STEREOCHEMISTRY; SURFACE PROPERTY;

EID: 0346906993     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1381-1169(03)00507-7     Document Type: Article

References (26)

1. Gallezot P., Richard D. Catal. Rev. Sci. Instrum. 40:1998;81.
2. Claus P. Top. Catal. 5:1998;51.
3. Ponec V. Appl. Catal. A: Gen. 149:1997;27.
4. M.A. Vannice, B. Sen, J. Catal. 115 (1989) 65.
5. Beccat P., Bertolini J.C., Gauthier Y., Massardier J., Ruiz P. J. Catal. 126:1990;451.
6. A. Giroir-Fendler, D. Richards, P. Gallezot, Catal. Lett. 5 (1990) 175.
7. Nitta Y., Ueno K., Imanaka T. Appl. Catal. 56:1989;9.
8. Birchem T., Pradier C.M., Berthier Y., Cordier G. J. Catal. 146:1994;503.
9. Delbecq F., Sautet P. J. Catal. 152:1995;217.
10. Delbecq F., Sautet P. J. Catal. 164:1996;152.
11. Delbecq F., Sautet P. J. Catal. 211:2002;398.
12. Hirschl R., Delbecq F., Sautet P., Hafner J. J. Catal. 217:2003;354.
13. Shustorovich E. Adv. Catal. 37:1990;101.
14. Shustorovich E., Sellers H. Surf. Sci. Rep. 31:1998;1.
15. Shustorovich E. Surf. Sci. 279:1992;355.
16. Brønsted N. Chem. Rev. 5:1928;231.
17. Evans M.G., Polanyi N.P. Trans. Faraday Soc. 34:1938;11.
18. Pallassana V., Neurock M. J. Catal. 191:2000;301.
19. Nørskov J.K., Bligaard T., Logadottir A., Bahn S., Hansen L.B., Bollinger M., Bengaard H., Hammer B., Sljivancanin Z., Mavrikakis M., Xu Y., Dahl S., Jacobsen C.J.H. J. Catal. 209:2002;275.
20. Carter R.N., Anton A.B., Apai G. Surf. Sci. 290:1993;319.
21. F. Delbecq, P. Sautet, private communication.
22. D.R. Lide (Ed.), Handbook of Chemistry and Physics, vol. 9, CRC Press, Boca Raton, 1994, pp. 51-73.
23. P. Claus, P. Kraak, R. Schödel, in: H.U. Blaser, A. Baiker, R. Prins (Eds.), Studies in Surface Science and Catalysis, Heterogeneous Catalysis and Fine Chemicals, vol. 108, fourth ed., Elsevier, Amsterdam, 1997, p. 281.
24. Claus P., Hofmeister H. J. Phys. Chem. B. 103:1999;2766.
25. Claus P., Brückner A., Mohr C., Hofmeister H. J. Am. Chem. Soc. 122:2000;11430.
26. Yoshitake H., Iwasawa Y. J. Chem. Soc. Faraday Trans. 88:1992;503.