Theoretical evidence of the Ni(III) participation in the chlorophenol oxidation on tetrasulphonated nickel phthalocyanine

International Journal of Quantum Chemistry

Volumn 108, Issue 13, 2008, Pages 2586-2594

  Cárdenas Jirón, Gloria I ^a   Berríos, Cristhian ^a  

^a UNIVERSIDAD DE SANTIAGO DE CHILE   (Chile)

Author keywords

Chlorophenol; Nanomodeling; Nickel; Oxidation; Phthalocyanine

Indexed keywords

BIOELECTRIC PHENOMENA; CARBON; CHLORINE COMPOUNDS; CYCLIC VOLTAMMETRY; ELECTRODES; ELECTRONIC STRUCTURE; GLASS MEMBRANE ELECTRODES; NICKEL; NICKEL ALLOYS; NONMETALS; OXIDATION; OXYGEN; PHENOLS; VOLTAMMETRY;

BOND ANALYSIS; CHLOROPHENOL; CHLOROPHENOLS; DELOCALIZATION; DICHLOROPHENOL; ELECTRONIC STRUCTURES; MODIFIED GLASSY CARBON ELECTRODES; NANOMODELING; NICKEL PHTHALOCYANINE; OXIDATION STATES; OXYGEN ATOMS; PHENOLIC RINGS; PHTHALOCYANINE; REDUCTION PROCESSING; TRICHLOROPHENOL;

CHEMICAL OXYGEN DEMAND;

EID: 52449107088     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21732     Document Type: Conference Paper

References (31)

1. Kookana, R. S.; Rogers, S. J. Rev Environ Contam Toxicol 1995, 142, 13.
2. Budavari, S.; O'Neil, M. J.; Smith, A.; Heckelman, P. E. The Merck Index 1989, 332, 484, 1517.
3. Ureta-Zañartu, M. S.; Bustos, P.; Diez, M. C.; Mora, M. L.; Gutiérrez, C. Electrochim Acta 2001, 46, 2545.
4. Gatrell, M.; Kirk, D. W. Can J Chem Eng 1990, 68, 997.
5. Ilisz, L; Dombi, A.; Mogyorosi, K.; Farkas, A.; Dekany, I. Appl Catal B: Environ 2002, 39, 247.
6. Calvo, L.; Gilarranz, M. A.; Casas, J. A.; Mohedano, A. F.; Rodríguez, J. J Appl Catal B: Environ 2006, 67, 68.
7. Dercová, K.; Sejáková, Z.; Skokanová, M.; Barancíková, G.; Makovníková, J. Chemosphere 2007, 66, 783.
8. Stafford, U.; Gray, K. A.; Kamat, P. V. Res Chem Intermed 1997, 23, 355.
9. Comninellis, Ch.; Pulgarin, C. J Appl Electrochim 1991, 21, 703.
10. Polcaro, A. M.; Palmas, S.; Renoldi, F.; Mascia, M. J Appl Electrochem 1999, 29, 147.
11. Comninellis, Ch.; Nerini, A. J Appl Electrochim 1995, 25, 23.
12. Rodrigo, M. A.; Michaud, P. A.; Duo, I.; Panizza, M.; Cerisola, G.; Comninellis, Ch. J Electrochem Soc 2001, 148, D60.
13. Wang, Y. H.; Chan, K. Y.; Li, X. Y.; So, S. K. Chemosphere 2006, 65, 1087.
14. Coteiro, R. D.; de Andrade, A. R. J Appl Electrochim 2007, 37, 691.
15. Pigani, L.; Musiani, M.; Pirvu, C.; Terzi, F.; Zanardi, C.; Seeber, R. Electrochim Acta 2007, 52, 1910.
16. Doctorate Thesis, Cristhian Berrios, University of Santiago de Chile, 2007.
17. Berrios, C.; Arce, R.; Rezende, M. C.; Ureta-Zañartu, M. S.; Gutiérrez, C. Electrochim Acta 2008, 53, 2768.
18. Ureta-Zañartu, M. S.; Bustos, P.; Berríos, C; Diez, M. C.; Mora, M. L.; Gutiérrez, C. Electrochim Acta 2002, 47, 2399.
19. Ureta-Zañartu, M. S.; Berríos, C.; Pavéz, J.; Zagal, J.; Gutiérrez, C.; Marco, J. F. J Electroanal Chem 2003, 553, 147.
20. Malinski, T.; Ciszewski, A.; Bennett, J.; Fish, J. R.; Czuchajowski, L. J Electrochem Soc 1991, 138, 2008.
21. (a) Cárdenas-Jirón, G. I.; Paredes-García, V.; Venegas-Yazigi, D.; Zagal, J. H.; Páez, M.; Costamagna, J. J Phys Chem A 2006, 110, 11870;
22. (b) Cárdenas-Jirón, G. I.; Venegas-Yazigi, D.; Zagal, J. H.; Páez, M.; Costamagna, J. J Phys Chem A 2005, 109, 1196;
23. (c) Venegas-Yazigi, D.; Cárdenas-Jirón, G. I.; Zagal, J. H. J Coord Chem 2003, 56, 1269;
24. (d) Cárdenas-Jirón, G. I.; Venegas-Yazigi, D. A. J Phys Chem A 2002, 106, 11938;
25. (e) Cárdenas-Jirón, G. I.; Caro, C. A.; Venegas-Yazigi, D.; Zagal, J. H. J Mol Struct: Theochem 2002, 580, 193.
26. (a) Lee, C.; Yang, W.; Parr, R. G. Phys Rev B 1988, 37, 785;
27. (b) Miehlich, B.; Savin, A.; Stoll, H.; Preuss, H. Chem Phys Lett 1989, 157, 200;
28. (c) Becke, A. D. J Chem Phys 1993, 98, 5648.
29. Titan, Wavefunction, Inc. and Schrodinger Inc. 18401 Von Karman Avenue, Suite 370, Irvine, CA 92612 USA.
30. Jaguar, version 6.0, Schrödinger, LLC, New York, NY, 2005.
31. Glendening, E. D.; Badenhoop, J. K.; Reed, A. E.; Carpenter, J. E.; Bohmann, J. A.; Morales, C. M.; Weinhold, F. NBO 5.0. Theoretical Chemistry Institute, University of Wisconsin, Madison, WI, 2001; Available at: http://www.chem.wisc.edu/~nbo5.