Tetrakis(thiadiazole)porphyrazines. 5. Electrochemical and DFT/TDDFT studies of the free-base macrocycle and its MgII ZnII, and CuII complexes

Inorganic Chemistry

Volumn 46, Issue 10, 2007, Pages 4145-4157

  Donzello, Maria Pia ^a   Ercolani, Claudio ^a   Kadish, Karl M ^b   Ricciardi, Giampaolo ^c   Rosa, Angela ^c   Stuzhin, Pavel A ^d  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b University of Houston   (United States)

^c UNIVERSITY OF BASILICATA   (Italy)

^d IVANOVO STATE UNIVERSITY OF CHEMISTRY AND TECHNOLOGY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; INDOLE DERIVATIVE; MAGNESIUM DERIVATIVE; PHTHALOCYANINE; PORPHYRIN; PYRIMIDINE DERIVATIVE; SOLVENT; ZINC DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTROCHEMISTRY; QUANTUM THEORY; SOLUTION AND SOLUBILITY; X RAY CRYSTALLOGRAPHY;

COPPER; CRYSTALLOGRAPHY, X-RAY; ELECTROCHEMISTRY; INDOLES; MAGNESIUM COMPOUNDS; MODELS, MOLECULAR; PORPHYRINS; PYRIMIDINES; QUANTUM THEORY; SOLUTIONS; SOLVENTS; ZINC COMPOUNDS;

EID: 34249686593     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic070038d     Document Type: Article

References (52)

1. The Porphyrin Handbook; Kadish, K. M., Smith, K. M., Guilard, R., Eds.; Academic Press: New York. 2003; Vols. 15-20.
2. Phthalocyanines: Properties and Applications; Leznoff, C. C., Lever, A. B. P., Eds.; VCH Publishers, Inc.: New York, 1989-1996; Vols. 1-4.
3. (a) Stuzhin, P. A.; Ercolani, C. The Porphyrin Handbook; Kadish, K. M., Smith, K. M., Guilard, R., Eds.; Academic Press: New York, 2003; Vol. 15, Chapter 101, pp 263-364.
4. (b) Leznoff, C. C. In Phthalocyanines - Properties and Applications; Leznoff, C. C., Lever, A. B. P., Eds.; VCH Publishers, Inc.: New York, 1993; Vol.1, pp 2-54.
5. (c) Kudrevich, S. V.; van Lier, J. E. Coord. Chem. Rev. 1996, 156, 163-182.
6. (a) Stuzhin, P. A.; Bauer, E. M.; Ercolani, C. Inorg. Chem. 1998, 37, 1533.
7. (b) Bauer, E. M.; Cardarilli, D.; Ercolani, C.; Stuzhin, P. A.; Russo, U. Inorg. Chem. 1999, 38, 6114.
8. (c) Bauer, E. M.; Ercolani, C.; Galli, P.; Popkova, I. A.; Stuzhin, P. A. J. Porphyrins Phthalocyanines 1999, 3, 371.
9. (d) Angeloni, S.; Bauer, E. M.; Ercolani, C.; Popkova, I. A.; Stuzhin, P. A. J. Porphyrins Phthalocyanines 2001, 5, 881.
10. (a) Donzello, M. P.; Ercolani, C.; Stuzhin, P. A.; Chiesi-Villa, A.; Rizzoli, C. Eur. J. Inorg. Chem. 1999, 2075.
11. (b) Donzello, M. P.; Dini, D.; D'Arcangelo, G.; Ercolani, C.; Zhan, R.; Ou, Z.; Stuzhin, P. A.; Kadish, K. M. J. Am. Chem. Soc. 2003, 125, 14190.
12. (a) Donzello, M. P.; Ou, Z.; Monacelli, F.; Ricciardi, G.; Rizzoli, C.; Ercolani, C.; Kadish, K. M. Inorg. Chem. 2004, 43, 8626.
13. (b) Donzello, M. P.; Ou, Z.; Dini, D.; Meneghetti, M.; Ercolani, C.; Kadish, K. M. Inorg. Chem. 2004, 43, 8637.
14. (a) Bergami, C.; Donzello, M. P.; Ercolani, C.; Monacelli, F.; Kadish, K. M.; Rizzoli, C. Inorg. Chem. 2005, 44, 9852.
15. (b) Bergami, C.; Donzello, M. P.; Monacelli, F.; Ercolani, C.; Kadish, K. M. Inorg. Chem. 2005, 44, 9862.
16. Donzello, M. P.; Agostinetto, R.; Ivanova, S. S.; Fujimori, M.; Suzuki, Y.; Yoshikawa, H.; Shen, J.; Awaga, K.; Ercolani, C.; Kadish, K. M.; Stuzhin, P. A. Inorg. Chem. 2005, 44, 8539.
17. Dini, D.; Hanack, M.; Egelhaaf, H.-J.; Snache-Garcia, J. C.; Cornil, J. J. Phys. Chem. B 2005, 109, 5425.
18. Zhou, X.; Ren, A.-M.; Feng, J-K.; Shuai, Z. J. Photochem. Photobiol., A 2005, 172, 126.
19. (a) Stuzhin, P. A. Ph.D. Dissertation. Ivanovo, 2004; 383 pp.
20. (b) Stuzhin, P. A.; Ercolani, C. Symposium Lecture ICPP3. J. Porphyrins Phthalocyanines 2004, 8, 495.
21. Donzello, M. P.; Ercolani, C.; Stuzhin, P. A. Coord. Chem. Rev. 2006, 250, pp. 1530-1561.
22. ADF: Density Functional Theory (DFT) Software for Chemists; Scientific Computing & Modelling: Amsterdam, http://www.scm.com (accessed 2006).
23. te Velde, G.; Bickelhaupt, F. M.; Baerends, E. J.; Fonseca Guerra, C.; van Gisbergen, S. J. A.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22, 931.
24. Becke, A. Phys. Rev. A 1988, 38, 3098.
25. Perdew, J. P. Phys. Rev. B 1986, 33, 8822 (Erratum: PRB 34 1986, 7406).
26. Gross, E. K. U.; Kohn, W. Adv. Quantum Chem. 1990, 21, 255.
27. Gross, E. U. K.; Dobson, J. F.; Petersilka, M. Density Functional Theory. In Springer Series "Topics in Current Chemistry"; Nalewajski, R. F., Ed.; Springer: Heidelberg, 1996.
28. Casida, M. E. In Recent Advances in Density Functional Methods; Chong, D. P., Ed.; World Scientific: Singapore, 1995; Vol. 1, p 155.
29. Bauernschmitt, R.; Ahlrichs, R. J. Chem. Phys. 1996, 104, 9047.
30. (a) Gritsenko, O. V.; Schipper, P. R. T.; Baerends, E. J. Chem. Phys. Lett. 1999, 302, 199.
31. (b) Schipper, P. R. T.; Gritsenko, O. V.; van Gisbergen, S. J. A.; Baerends, E. J. J. Chem. Phys. 2000, 112, 1344.
32. (a) Rosa, A.; Ricciardi, G.; Baerends, E. J.; van Gisbergen, S. J. A. J. Phys. Chem. A 2001, 112, 1344.
33. (b) Ricciardi, G.; Rosa, A.; Baerends, E. J. J. Phys. Chem. 2001, 105, 5242.
34. (c) Baerends, E. J.; Ricciardi, G.; Rosa, A.; van Gisbergen, S. J. A. Coord. Chem. Rev. 2002, 230, 5.
35. (d) Rosa, A.; Ricciardi, G.; Gritsenko, O.; Baerends, E. J. Struct. Bonding (Berlin) 2004, 112, 49.
36. (a) Klamt, A.; Schurmann, G. J. Chem. Soc., Perkin Trans. 1993, 2, 799.
37. (b) Klamt, A.; Jonas, V. J. Chem. Phys. 1996, 105, 9972.
38. Pye, C. C.; Ziegler, T. Theor. Chem. Acc. 1999, 101, 396.
39. (a) Clack, D. W.; Hosh, N. S.; Woosley, I. S. Inorg. Chim. Acta 1976, 19, 129.
40. (b) Lever, A. B. P.; Wilshire, J. P. Can. J. Chem. 1976, 54, 2514.
41. Donzello, M. P., unpublished results.
42. (a) Fujimori, M.; Suzuki, Y.; Yoshikawa, H.; Awaga, K. Angew. Chem. 2003, 115, 6043.
43. (b) Suzuki, Y.; Fujimori, M.; Yoshikawa, H.; Awaga, K. Chem. Eur. J. 2004, 10, 5158.
44. Mack, J.; Stillman, M. J. J. Phys. Chem. 1995, 99, 7935, and references therein.
45. Nguyen, K. A.; Pachter, R. J. Chem. Phys. 2001, 114, 10757.
46. Rosa, A.; Baerends, E. J. Inorg. Chem. 1994, 33, 584.
47. Brown, C. J. J. Chem. Soc. A 1968, 2488.
48. Donzello, M. P.; Ercolani, C.; Kadish, K. M.; Ricciardi, G.; Rosa, A., manuscript to be submitted.
49. (a) Dreuw, A.; Head-Gordon, M. J. Am. Chem. Soc. 2004, 126, 4007.
50. (b) Gritsenko, O.; Baerends, E. J. J. Chem. Phys. 2004, 112, 655.
51. Toyota, K.; Hasegawa, J.; Nkatsuji, H. J. Phys. Chem. A 1997, 101, 446.
52. Rosa, A.; Ricciardi, G., unpublished results.