Metal-support interactions revisited by theoretical calculations: The influence of organic ligands for preparing Ni/SiO2 catalysts

Applied Catalysis A: General

Volumn 475, Issue , 2014, Pages 134-139

  Valencia, Diego ^a,b   Peña, Laura ^b   Uc, Víctor Hugo ^c   García Cruz, Isidoro ^a  

^a INSTITUTO MEXICANO DEL PETRÓLEO   (Mexico)

^b UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^c UNIVERSIDAD AUTÓNOMA METROPOLITANA AZCAPOTZALCO   (Mexico)

Author keywords

Chelating agents; DFT; Heterogeneous catalysts; Hydrogen bond; ONIOM; Support

Indexed keywords

CHELATING AGENT; DFT; HETEROGENEOUS CATALYST; METAL-SUPPORT INTERACTIONS; ONIOM; PREPARATION OF SUPPORTED CATALYSTS; QUANTUM MECHANICS/MOLECULAR MECHANICS; THEORETICAL CALCULATIONS;

CATALYST SUPPORTS; CHELATION; COMPLEXATION; HYDROGEN BONDS; METALS; MOLECULAR MODELING; NICKEL; SUPPORTS;

LIGANDS;

EID: 84893559073     PISSN: 0926860X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apcata.2014.01.018     Document Type: Article

References (44)

1. B.M. Weckhuysen Angew. Chem. Int. Ed. 48 2009 4910 4943
2. J.A. Schwarz, C. Contescu, and A. Contescu Chem. Rev. 95 1995 477 510
3. M. Campanati, G. Fornasari, and A. Vaccari Catal. Today 77 2003 299 314
4. M. Di Serino, R. Tesser, L. Pengmei, and E. Santacesaria Energy Fuels 22 2008 207 217
5. R.A. Sheldon, M. Wallau, I.W.C.E. Arends, and U. Schuchardt Acc. Chem. Res. 31 1998 485 493
6. A.M. Molenbroek, S. Helveg, H. Topsoe, and B.S. Clausen Top. Catal. 52 2009 1303 1311
7. F. Zaera J. Phys. Chem. Lett. 1 2010 621 627
8. T.W. Hansen, J.B. Wagner, P.L. Hansen, S. Dahl, H. Topsoe, and C.J.H. Jacobsen Science 294 2001 1508 1510
9. S.J. Tauster, S.C. Fung, and R.L. Garten J. Am. Chem. Soc. 100 1978 170 175
10. D.W. Goodman Catal. Lett. 99 2005 1 4
11. S. Wang, and G.Q. Lu Appl. Catal., A 169 1998 271 280
12. P. Kim, H. Kim, J. Bong Joo, W. Kim, I. Kyu Song, and Jongheop Yi J. Mol. Catal. A: Chem. 256 2006 178 183
13. A. Maroto-Valiente, M. Cerro-Alarcón, A. Guerrero-Ruiz, and I. Rodríguez-Ramos Appl. Catal., A 283 2005 23 32
14. H. Kusama, K. Kitamura Bando, K. Okabe, and H. Arakawa Appl. Catal., A 205 2001 285 294
15. G. Wu, C. Zhang, S. Li, Z. Han, T. Wang, X. Ma, and J. Gong ACS Sustainable Chem. Eng. 1 2013 1052 1062
16. K. Hiroshima, T. Mochizuki, T. Honma, T. Shimizu, and M. Yamada Appl. Surf. Sci. 121/122 1997 433 436
17. T. Shimizu, K. Hiroshima, T. Honma, T. Mochizuki, and M. Yamada Catal. Today 45 1998 271 276
18. R. Cattaneo, T. Shido, and R. Prins J. Catal. 185 1999 199 212
19. L. Peña, D. Valencia, and T. Klimova Appl. Catal., B 147 2014 879 887
20. T. Mochizuki, T. Hara, N. Koizumi, and M. Yamada Appl. Catal., A 317 2007 97 104
21. D. Prieto-Centurión, and J. Notestein J. Catal. 279 2011 103 110
22. K.-Q. Sun, E. Marceau, and M. Che Phys. Chem. Chem. Phys. 8 2006 1731 1738
23. S. Schimpf, C. Louis, and P. Claus Appl. Catal., A 318 2007 45 53
24. A.I. Tsyganok, K. Suzuki, S. Hamakawa, K. Takehira, and T. Hayakawa Catal. Lett. 77 2001 75 86
25. J.P. Brunelle Pure Appl. Chem. 50 1978 1211 1229
26. G. Kishan, L. Coulier, V.H.J. de Beer, J.A.R. van Veen, and J.W. Niemantsverdriet J. Catal. 196 2000 180 189
27. J.-F. Lambert, and M. Che J. Mol. Catal. A: Chem. 162 2000 5 18
28. J. Escobar, M.C. Barrera, J.A. de los Reyes, J.A. Toledo, V. Santes, and J.A. Colín J. Mol. Catal. A: Chem. 287 2008 33 40
29. D. Valencia, and T. Klimova Catal. Commun. 21 2012 77 81
30. A.J. van Dillen, R.J.A.M. Terörde, D.J. Lensveld, J.W. Geus, and K.P. de Jong J. Catal. 216 2003 257 264
31. Y.S. Cho, J.C. Park, B. Lee, and J. Yi Catal. Lett. 81 2002 89 96
32. F. Négrier, E. Marceau, M. Che, J.-M. Giraudon, L. Gengembre, and A. Löfberg J. Phys. Chem. B 109 2005 2836 2845
33. M.G. O'Brien, S.D.M. Jacques, M. Di Michiel, P. Barnes, B.M. Weckhuysen, and A.M. Beale Chem. Sci. 3 2012 509 523
34. D. Spielbauer, H. Zeilinger, and H. Knözinger Langmuir 9 1993 460 466
35. S. Boujday, J.-F. Lambert, and M. Che Chem. Phys. Chem. 5 2004 1003 1013
36. J. Lu, P. Serna, C. Aydin, N.D. Browning, and B.C. Gates J. Am. Chem. Soc. 133 2011 16186 16195
37. X. Carrier, E. Marceau, and M. Che Pure Appl. Chem. 78 2006 1039 1055
38. M. Che, O. Clause, and Ch. Marcilly Impregnation and ion exchange G. Ertl, H. Knözinger, J. Weitkamp, Preparation of Solid Catalysts 1999 Weinheim 315 340 cap. 4.1.1
39. C. Arrouvel, M. Digne, M. Breysse, H. Toulhoat, and P. Raybaud J. Catal. 222 2004 152 166
40. G. Li, E.M. Sproviero, R.C. Snoeberger III, N. Iguchi, J.D. Blakemore, R.H. Crabtree, G.W. Brudvig, and V.S. Batista Energy Environ. Sci. 2 2009 230 238
41. Y. Zhao, and D.G. Truhlar Theor. Chem. Acc. 120 2008 215 241
42. Y. Zhao, and D.G. Truhlar Acc. Chem. Res. 41 2008 157 167
43. S. Dappricha, I. Komáromia, K.S. Byuna, K. Morokuma, and M.J. Frisch J. Mol. Struct. Teochem. 461 1999 1 21
44. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, J.E. Peralta Jr., F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, and D.J. Fox Gaussian 09, Revision D.01 2009 Gaussian, Inc. Wallingford, CT