Theoretical study of olefin oxidation process on a dioxo-μ-oxo Mo catalyst

International Journal of Quantum Chemistry

Volumn 108, Issue 10, 2008, Pages 1674-1683

  Griffe, Beulah ^a   Agrifoglio, Giuseppe ^b   Ruette, Fernando ^a   Brito, Joaquín L ^a  

^a INSTITUTO VENEZOLANO DE INVESTIGACIONES CIENTÍFICAS   (Venezuela)

^b UNIVERSIDAD CENTRAL DE VENEZUELA   (Venezuela)

Author keywords

Catalytic oxidation mechanism; CATIVIC; Molybdenum oxide complex; Regeneration process; Theoretical modeling

Indexed keywords

ADDITION REACTIONS; ATOMIC PHYSICS; BINDING ENERGY; CATALYSIS; CATALYST REGENERATION; CATALYTIC OXIDATION; CHEMICAL BONDS; CHEMICAL OXYGEN DEMAND; COMPLEXATION; CONFORMATIONS; ELECTRONIC PROPERTIES; ETHYLENE; FLOW INTERACTIONS; MICROFLUIDICS; MOLYBDENUM; OLEFINS; OXIDATION; PARAMETER ESTIMATION; QUANTUM CHEMISTRY; TELEMETERING SYSTEMS; VANADIUM COMPOUNDS;

(E ,3E) PROCESS; (LIQUID + LIQUID) EQUILIBRIUM; (PL) PROPERTIES; ATOMIC CHARGES; BALANCE (WEIGHTING); BIPYRIDINE LIGANDS; BOND DISTANCES; BOND ENERGIES; BONDING PROPERTIES; CATALYTIC PROCESSING; CATALYTIC REACTIONS; COMPLEX 1; DIMERIC COMPLEXES; ETHYLENE OXIDE (ET-O); OLEFIN OXIDATION; ORBITAL POPULATION; REGENERATION (RENOVATING);

MOLYBDENUM COMPOUNDS;

EID: 45749090199     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21595     Document Type: Conference Paper

References (22)

1. Stiefel, E. I. In Molybdenum Enzymes Cofactors and Model Systems; Stiefel, E. I., Coucouvanis, D., Newton, W. E., Eds.; American Chemical Society: Washington, DC, 1993; p 1.
2. Stiefel, E. I. J Chem Soc Dalton Trans 1997, 3915.
3. Burrington, J. D.; Kartisek, C. T.; Grasselli, R. K. J Catal 1984, 87, 363.
4. Schollhammer, P.; Pétillon, F. Y.; Talarmin, J.; Muir, K. W. J Organometal Chem 2001, 627, 67.
5. Yamaguchi, Y.; Osaki, S.; Hinago, H.; Kobayashi, K.; Ito, T. Inorg Chim Acta 2005, 358, 2363.
6. Lambert, R. M.; Williams, F. J.; Cropley, R. L.; Palermo, A. J Mol Catal A 2005, 228, 27.
7. Arzoumanian, H.; Agrifoglio, G.; Krentzien, H.; Capparelli, M. J Chem Soc Chem Commun 1995, 655.
8. Arzoumanian, H.; Maurino, L.; Agrifoglio, G. J Mol Catal A 1997, 117, 471.
9. Arzoumanian, H.; Bakhtchadjian, R.; Agrifoglio, G.; Krentzien, H.; Daran, J. C. Eur J Inorg Chem 1999, 2225.
10. Pellegatti, A.; Arzoumanian, H.; Blaive, B. Chem Eur J 2003, 9, 5655.
11. Arzoumanian, H.; Bakhtchadjian, R.; Atencio, R.; Briceño, A.; Verde, G.; Agrifoglio, G. J Mol Catal A 2006, 260, 197.
12. Schultz, B. E.; Gheller, S. F.; Muetterties, M. C.; Scott, M. J.; Holm, R. H. J Am Chem Soc 1993, 115, 2714.
13. Schultz, B. E.; Holm, R. H. Inorg Chem 1993, 32, 4244.
14. Thomson, L. M.; Hall, M. B. J Am Chem Soc 2001, 123, 3995.
15. Griffe, B.; Agrifoglio, G.; Ruette, F.; Brito, J.; Arzoumanian, H. Memorias del XIX Simposio Ibero-Americano de Catálisis, 629-636, Mérida, Yucatán, México, 2004.
16. Griffe, B.; Agrifoglio, G.; Ruette, F.; Brito, J. Catal Today, 2005, 107/108, 388.
17. Ruette, F.; Sánchez, M.; Mendoza, C.; Sierraalta, A.; Martorell, G.; González, C. Int J Quantum Chem 2004, 96, 303.
18. Ruette, F.; Sánchez, M.; Martorell, G.; González, C.; Añez, R.; Sierraalta, A.; Rincón, L.; Mendoza, C. Int J Quantum Chem 2004, 96, 321.
19. Ruette, F.; González, C. Chem Phys Lett 2002, 359, 428.
20. http://cativic.ivic.ve/webcativic
21. Siegbahn, P. E. M.; Crabtree, R. H. J Am Chem Soc 1997, 119, 3103.
22. Pereira, C. L.; Balula, S. S.; Almeida Paz, F.; Valente, A.; Pillinger, M.; Klinowski, J.; Goncalves, I. Inorg Chem 2007, 46, 8508.