Mechanism of the catalytic gas-phase aldehyde production from trinuclear W3S4 complexes bearing W-OEt groups

Catalysis Today

Volumn 177, Issue 1, 2011, Pages 72-78

  Beltrán, Tomás F ^a   Feliz, Marta ^a,b   Llusar, Rosa ^a   Safont, Vicent S ^a   Vicent, Cristian ^a  

^a UNIVERSITAT JAUME I   (Spain)

^b INSTITUTO DE TECNOLOGÍA QUÍMICA   (Spain)

Author keywords

Alkoxo ligands; CID; DFT calculations; ESI; Ion molecule reactions; Tungsten clusters

Indexed keywords

ALKOXO LIGANDS; CID; DFT CALCULATIONS; ESI; ION-MOLECULE REACTION; TUNGSTEN CLUSTERS;

ALDEHYDES; ATOMS; DEUTERIUM; EXPERIMENTS; HYDRIDES; HYDROGEN; LIGANDS; ORGANIC COMPOUNDS; OXYGEN; PROTON TRANSFER; TUNGSTEN;

TUNGSTEN COMPOUNDS;

EID: 80054682148     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2011.05.017     Document Type: Article

References (32)

1. A.P.V. Soares, and M.F. Portela Catal. Rev.: Sci. Eng. 47 2005 125 174
2. Y. Ono Catal. Today 81 2003 3 16
3. G.E. Johnson, R. Mitric, V. Bonacic-Koutecky, and A.W. Castleman Chem. Phys. Lett. 475 2009 1 9
4. E.L. Muetterties Science 196 1977 839 848
5. J. Roithova, and D. Schroder Coord. Chem. Rev. 253 2009 666 677
6. R.A.J. O'Hair Chem. Commun. 2006 1469 1481
7. J. Roithova, D. Schroder, and H. Schwarz Angew. Chem. Int. Ed. 44 2005 3092 3096
8. P.B. Armentrout Eur. J. Mass Spectrom. 9 2003 531 538
9. K.A. Zemski, D.R. Justes, and A.W. Castleman J. Phys. Chem. B 106 2002 6136 6148
10. S. Gronert Chem. Rev. 101 2001 329 360
11. M. Schlangen, and H. Schwarz ChemCatChem 2 2010 799 802
12. T. Waters, R.A.J. O'Hair, and A.G. Wedd J. Am. Chem. Soc. 125 2003 3384 3396
13. S. Feyel, D. Schröder, and H. Schwarz J. Phys. Chem. A 113 2009 5625 5632
14. Y.K. Kim, R. Rousseau, B.D. Kay, J.M. White, and Z. Dohnalek J. Am. Chem. Soc. 130 2008 5059 5061
15. C. Vicent, M. Feliz, and R. Llusar J. Phys. Chem. A 112 2008 12550 12558
16. G. Fu, X. Xu, and H.L. Wan Catal. Today 117 2006 133 137
17. A.D. Becke J. Chem. Phys. 98 1993 5648 5652
18. J.P. Perdew, and Y. Wang Phys. Rev. B 45 1992 13244 13249
19. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, 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, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03 Revision D.02, Gaussian Inc., Wallingford, CT, 2004.
20. D. Andrae, U. Haussermann, M. Dolg, H. Stoll, and H. Preuss Theor. Chim. Acta 77 1990 123 141
21. A.W. Ehlers, M. Bohme, S. Dapprich, A. Gobbi, A. Hollwarth, V. Jonas, K.F. Kohler, R. Stegmann, A. Veldkamp, and G. Frenking Chem. Phys. Lett. 208 1993 111 114
22. A. Bergner, M. Dolg, W. Kuchle, H. Stoll, and H. Preuss Mol. Phys. 80 1993 1431 1441
23. A. Hollwarth, M. Bohme, S. Dapprich, A.W. Ehlers, A. Gobbi, V. Jonas, K.F. Kohler, R. Stegmann, A. Veldkamp, and G. Frenking Chem. Phys. Lett. 208 1993 237 240
24. Harihara Pc, and J.A. Pople Theor. Chim. Acta 28 1973 213 222
25. T. Waters, R.A.J. O'Hair, and A.G. Wedd Inorg. Chem. 44 2005 3356 3366
26. S. Feyel, T. Waters, R.A.J. O'Hair, and A.G. Wedd Dalton Trans. 2004 4010 4016
27. M.G. Basallote, M. Feliz, M.J. Fernandez-Trujillo, R. Llusar, V.S. Safont, and S. Uriel Chem. Eur. J. 10 2004 1463 1471
28. A.G. Algarra, M.G. Basallote, M. Feliz, M.J. Fernandez-Trujillo, R. Llusar, and V.S. Safont Chem. Eur. J. 12 2006 1413 1426
29. T.F. Beltrán, M. Feliz, R. Llusar, J.A. Mata, and V.S. Safont Organometallics 30 2011 290 297
30. S. Pudar, J. Oxgaard, K. Chenoweth, A.C.T. van Duin, and W.A. Goddard J. Phys. Chem. C 111 2007 16405 16415
31. L.J. Gregoriades, J. Dobler, and J. Sauer J. Phys. Chem. C 114 2010 2967 2979
32. A.S.G. Algarra, M.G. Basallote, M.J. Fernandez-Trujillo, R. Llusar, V.S. Safont, and C. Vicent Inorg. Chem. 45 2006 5774 5784