Reactivity descriptors applied to the study of cobalt porphyrin and their aza derivatives

International Journal of Quantum Chemistry

Volumn 91, Issue 3 SPEC, 2003, Pages 389-397

  Cárdenas Jirón, Gloria I ^a  

^a UNIVERSIDAD DE SANTIAGO DE CHILE   (Chile)

Author keywords

Cobalt; Density functional; Fukui; Hardness; Porphyrin; Reactivity

Indexed keywords

ATOMIC PHYSICS; CONDENSATION REACTIONS; ELECTRONIC STRUCTURE; ELECTROSTATICS; HARDNESS; IONIZATION OF SOLIDS; PROBABILITY DENSITY FUNCTION;

AZA DERIVATIVES; COBALT PORPHYRIN; ELECTROPHILICITY; ELECTROSTATIC POTENTIAL; FUKUI FUNCTION; VERTICAL IONIZATION;

COBALT COMPOUNDS;

EID: 0037454920     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10443     Document Type: Article

References (53)

1. White, A.; Handler, P.; Smith, E. L. Principles of Biochemistry; Academic Press; New York, 1998.
2. Del, C.; Battle, A. M. J Photochem Photobiol 1993, 20, 5.
3. Bonnett, R. Chem Soc Rev 1995, 19.
4. Ben-Hur, F.; Horowitz, B. Photochem Photobiol 1995, 62, 383.
5. Kuroda, S.; Matsumoto, M.; Azumi, R.; King, L. G.; Crossley, M. J. Langmuir 1995, 11, 4056.
6. Dhanasekaran, T.; Grodkowski, J.; Neta, P.; Hambright, P.; Fujita, E. J Phys Chem A 1999, 103, 7742.
7. Darwent, J. R.; Douglas, P.; Harrimam, A.; Porter, G.; Richoux, M. C. Coord Chem Rev 1982, 44, 833
8. Wasielewski, M. R. Chem Rev 1992, 92, 435.
9. Bryn, M. P.; Curtis, C. J.; Goldenberg, I.; Hsiou, Y.; Khan, S. I.; Sawin, P. A.; Tendick, S. K.; Strouse, C. E. J Am Chem Soc 1991, 113, 6549.
10. Turker, L. J Mol Struct Theochem 2000, 530, 119.
11. Chou, H.; Suslick, K. S. J Phys Chem 1993, 98, 383.
12. Suslick, K. S.; Chen, C. T.; Meridith, G. R.; Cheng, L. T. J Am Chem Soc 1992, 114, 6028.
13. LeCours, G. M.; Guan, H. W.; DiMagno, S. G.; Wang, C. H.; Therien, M. J. J Am Chem Soc 1996, 118, 1497.
14. Priyardarshy, S.; Therien, M. J.; Beraton, D. N. J Am Chem Soc 1996, 118, 1504.
15. Sen, A.; Ray, P. C.; Das, P. K.; Krishnan, V. J Phys Chem 1996, 100, 19611.
16. Albert, I. D. L.; Marks, T. J.; Ratner, M. A. Chem Mater 1998, 10, 753.
17. Oliveira, K. M. T.; Trsic, M. J Mol Struct Theochem 2001, 539, 107.
18. Piet, D. P.; Danovich, D.; Zuilhof, H.; Sudholter, E. J. R. J Chem Soc Perkin Trans 1999, 2, 1653.
19. Tatsumi, K.; Hoffmann, R. J Am Chem Soc 1981, 103, 3328.
20. Ghosh, A.; Gonzalez, E.; Vangberg, T. J Phys Chem B 1999, 103, 1363.
21. Ghosh, A.; Gassman, P. G.; Almlof, J. J Am Chem Soc 1994, 116, 1932.
22. Reynolds, Ch. H. J Mol Struct (Theochem) 1997, 401, 267.
23. Yamamoto, S.; Diercksen, G. H. F.; Karelson, M. Chem Phys Lett 2000, 318, 590.
24. Zagal, J. H.; Gulppi, M.; Isaacs, M.; Cárdenas-Jirón, G. I.; Aguirre, M. J. Electrochim Acta 1998, 44, 1349.
25. Zagal, J. H.; Gulppi, M,; Caro, C.; Cárdenas-Jirón, G. I. Electrochem Comm 1999, 1, 389.
26. Zagal, J. H.; Gulppi, M.; Cárdenas-Jirón, G. I. Polyhedron 2000, 19, 2255.
27. Zagal, J. H.; Cárdenas-Jirón, G. I. J Electroanal Chem 2000, 489, 96.
28. Cárdenas-Jirón, G. I.; Zagal, J. H. J Electroanal Chem 2001, 497, 55.
29. Cárdenas-Jirón, G. I.; Gulppi, M. A.; Caro, C. A.; del Rio, R.; Páez, M.; Zagal, J. H. Electrochim Acta 2001, 46, 3227.
30. Parr, R. G.; Zhou, Z. Acc Chem Res 1993, 26, 256.
31. Cárdenas-Jirón, G. I.; Caro, C. A.; Venegas-Yazigi, D.; Zagal, J. H. J Mol Struct Theochem 2002, 580, 193.
32. Cárdenas-Jirón, G. I. J Phys Chem A 2002, 106, 3202.
33. Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules; Oxford University Press: New York, 1989.
34. Parr, R. G.; Yang, W. Annu Rev Phys Chem 1995, 46, 701.
35. Geerlings, P.; DeProft, F.; Langenaeker, W. Adv Quantum Chem 1999, 33, 303.
36. Chermette, H. J Comput Chem 1999, 20, 129.
37. Parr. R. G.; Donnelly, R. A.; Levy, M.; Palke, W. E. J Chem Phys 1978, 68, 3801.
38. Parr, R. G.; Pearson, R. G. J Am Chem Soc 1983, 105, 7512.
39. Parr, R. G.; Szentpaly, L.; Liu, S. J Am Chem Soc 1999, 121, 1922.
40. Parr, R. G.; Yang, W. J Am Chem Soc 1984, 106, 4049.
41. Pearson, R. G. In: Chemical Hardness; Wiley-VCH: New York, 1997.
42. Sen, K. D., ed. Structure and Bonding. Chemical Hardness; Springer-Verlag: Berlin, 1993.
43. Maynard, A. T.; Huang, M.; Rice, W. G.; Covel, D. G. Proc Natl Acad Sci USA 1998, 95, 11578.
44. Ayres, P. W.; Parr, R. G. J Am Chem Soc 2000, 122, 2010.
45. Fukui, K. Theory of Orientation and Stereoselection; Springer-Verlag: Berlin, 1975.
46. Fukui, K. Science 1987, 218, 747.
47. Fukui, K.; Yonezawa, T.; Shingu, H. J Chem Phys 1952, 20, 722.
48. Fukui, K.; Yonezawa, T.; Nagata, C.; Shingu, H. J Chem Phys 1954, 22, 1433.
49. TITAN 1.0.7; Wavefunction, Inc., and Schrodinger, Inc.; Irvine, CA.
50. Klopman, G. J Am Chem Soc 1968, 90, 223.
51. Chattaraj, P. K. J Phys Chem A 2001, 105, 511.
52. Balawender, R.; Bennasser, S.; Geerlings, P. J Phys Chem A 2001, 105, 6703.
53. Berkowitz, M. J Am Chem Soc 1987, 109, 4823.