Spectroscopic and density functional studies of the dinitrosyl metalloporphyrin complexes Fe(P)(NO)2 and Ru(P)(NO)2

Inorganic Chemistry

Volumn 42, Issue 16, 2003, Pages 4902-4908

  Patterson, James C ^a   Lorković, Ivan M ^a   Ford, Peter C ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

IRON DERIVATIVE; METALLOPORPHYRIN; PORPHYRIN DERIVATIVE; RUTHENIUM DERIVATIVE; TETRAPHENYLPORPHYRIN DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; COMPLEX FORMATION; CONFORMATION; DENSITY; GEOMETRY; INFRARED SPECTROSCOPY; MODEL; MOLECULAR STABILITY;

EID: 0041663570     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic034079v     Document Type: Article

References (46)

1. (a) Nitric Oxide: Biology and Pathobiology; Ignarro, L. J., Ed.; Academic Press: San Diego, 2000.
2. (b) Nitric Oxide and Infection; Fang, F. C., Ed.; Kluwer Academic/Plenum Publishers: New York, 1999.
3. (c) Wink, D. A.; Hanbauer, I.; Grisham, M. B.; Laval, F.; Nims, R. W.; Laval, J.; Cook, J.; Pacelli, R.; Liebmann, J.; Krishna, M.; Ford, P. C.; Mitchell, J. B. Curr. Top. Cell. Regul. 1996, 34, 159.
4. (a) Hoshino, M.; Ozawa, K.; Seki, H.; Ford, P. C. J. Am. Chem. Soc. 1993, 115, 9568-9575.
5. (b) Hoshino, M.; Maeda, M.; Konishi, R.; Seki, H.; Ford, P. C. J. Am. Chem. Soc. 1996, 118, 5702-5707.
6. (c) Hoshino, M.; Nagashima, Y.; Seki, H.; De Leo, M.; Ford, P. C. Inorg. Chem. 1998, 37, 2464-2469.
7. (d) Hoshino, M.; Laverman, L.; Ford, P. C. Coord. Chem. Rev. 1999, 187, 75-102 and references therein.
8. (a) Miranda, K. M.; Bu, X.; Lorkovic, I. M.; Ford, P. C. Inorg. Chem. 1997, 36, 4838-4848.
9. (b) Lorkovic, I. M.; Miranda, K. M.; Lee, B.; Bernhard, S.; Schoonover, J. R.; Ford, P. C. J. Am. Chem. Soc. 1998, 120, 11674-11683.
10. (c) Lorkovic, I. M.; Ford, P. C. Inorg. Chem. 1999, 38, 1467-1473.
11. (d) Lorkovic, I. M.; Ford, P. C. J. Chem. Soc., Chem. Commun. 1999, 1225-1226.
12. (e) Andreasen, L. V.; Lorkovic, I. M.; Richter-Addo, G. B.; Ford, P. C. Nitric Oxide: Chem. Biol. 2002, 6, 228-235.
13. (a) Laverman, L. E.; Hoshino, M.; Ford, P. C. J. Am. Chem. Soc. 1997, 119, 12663-12664.
14. (b) Laverman, L. E.; Ford, P. C. Chem. Commun. 1999, 1843-1844.
15. (c) Laverman, L. E.; Ford, P. C. J. Am. Chem. Soc. 2001, 123, 11614-11622.
16. (d) Laverman, L. E.; Wanat, A.; Oszajca, J.; Stochel, G.; Ford, P. C.; van Eldik, R. J. Am. Chem. Soc. 2001, 123, 285-293.
17. (a) Lorkovic, I. M.; Ford, P. C. Inorg. Chem. 2000, 39, 632-633.
18. (b) Lorkovic, I. M.; Ford, P. C. J. Am. Chem. Soc. 2000, 122, 6516-6517.
19. (c) Lim, M. D.; Lorkovic, I. M.; Wedeking, K.; Zanella, A. W.; Works, C. F.; Massick, S. M.; Ford, P. C. J. Am. Chem. Soc. 2002, 124, 9737-9743.
20. (d) Kurtikyan, T. S.; Martirosyan, G. G.; Lorkovic, I. M.; Ford, P. C. J. Am. Chem. Soc. 2002, 124, 10124-10129.
21. (e) Ford, P. C.; Lorkovic, I. M. Chem. Rev. 2002, 102, 993.
22. Ballou, D. P.; Zhao, Y.; Brandish, P. E.; Marletta, M. A. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 12097-12101.
23. Enemark, J. H.; Feltham, R. D. J. Am. Chem. Soc. 1974, 96, 5002-5004; Coord. Chem. Rev. 1974, 13, 339-406.
24. Enemark, J. H.; Feltham, R. D. J. Am. Chem. Soc. 1974, 96, 5002-5004; Coord. Chem. Rev. 1974, 13, 339-406.
25. (a) Kohn, W.; Sham, L. J. Phys. Rev. 1965, 140, A1133-A1138.
26. (b) Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules: Oxford University Press: New York, 1989.
27. Binkley, J. S.; Pople, J. A.; Hehre, W. J. J. Am. Chem. Soc. 1980, 102, 939-947.
28. Dobbs, K. D.; Hehre, W. J. J. Comput. Chem. 1987, 8, 861-879.
29. (a) Dobbs, K. D.; Hehre, W. J. J. Comput. Chem. 1987, 8, 880-893.
30. (b) Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
31. Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652.
32. Lee, C.; Yang W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789.
33. Miehlich, B.; Savin, A.; Stoll, H.; Preuss, H. Chem. Phys. Lett. 1989, 157, 200-206.
34. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Salvador, P.; Dannenberg, J. J.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.11.1; Gaussian, Inc.: Pittsburgh, PA, 2001.
35. (a) Zhou, M.; Andrews, L. A. J. Phys. Chem. A 2000, 104, 3915-3925.
36. (b) Hubbard, J. L.; Zoch, C. R.; Elcesser, W. L. Inorg. Chem. 1993, 32, 3333-3338.
37. (c) Morrow, B. A.; Baraton, M. I.; Roustan, J.-L. J. Am. Chem. Soc. 1987, 109, 7541-7543.
38. Gorelski, S. I.; da Silva, S. C.; Lever, A. B. P.; Franco D. W. Inorg. Chim. Acta 2000, 300-302, 698-708.
39. Bottomley, F. J. Chem. Soc., Dalton Trans. 1974, 15, 1600-1605.
40. Borges, S. da S. S.; Davanzo, C. U.; Castellano, E. E.; Schpector, J. Z.; Silva, S. C.; Franco, D. W. Inorg. Chem. 1998, 37, 2670-2677.
41. Wyllie, G. R. A.; Scheidt, W. R. Chem. Rev. 2002, 102, 1067-1089.
42. Patterson, J. C. Manuscript in preparation.
43. 2 that the trans-syn conformation is more stable but did not address the ambiguity resulting from experimental observation of a single v(NO) frequency.
44. (b) Conradie, J.; Wondimagegn, T.; Ghosh, A. J. Am. Chem. Soc. 2003, 125, 4968-4969.
45. Jmol is open-source software which can be obtained at http://jmol.sourceforge.net/. (June 17, 2003).
46. Our DFT computed v(NO) frequencies for the model compounds were consistently lower than the experimental values although the patterns observed were entirely self-consistent. We attribute these differences to the relatively small basis set (3-21g) used.