Establishing the NO oxidation state in complexes [Cl5(NO)M] n-, M = Ru or Ir, through experiments and DFT calculations

Dalton Transactions

Volumn , Issue 12, 2004, Pages 1797-1800

  Sieger, Monika ^a   Sarkar, Biprajit ^a   Záliš, Stanislav ^b   Fiedler, Jan ^b   Escola, Natalia ^c   Doctorovich, Fabio ^c   Olabe, Jose A ^c   Kaim, Wolfgang ^a  

^a UNIVERSITY OF STUTTGART   (Germany)

^b J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

^c UNIVERSIDAD DE BUENOS AIRES   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; CHLORINE COMPOUNDS; ELECTROLYSIS; ELECTROLYTIC REDUCTION; ELECTRONIC STRUCTURE; IRIDIUM; OXIDATION; PARAMAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION; RUTHENIUM; TRANSITION METALS;

IR SPECTROELECTROCHEMISTRY; REDUCTION-INDUCED DISSOCIATION; STRETCHING FREQUENCIES; ZERO ORDER REGULAR APPROXIMATIONS (ZORA);

NITROGEN OXIDES;

EID: 17044379495     PISSN: 14779226     EISSN: None     Source Type: Journal    
DOI: 10.1039/b404121f     Document Type: Article

References (46)

1. (a) J. A. McCleverty, Chem. Rev., 1979, 79, 53;
2. (b) R. D. Feltham and J. H. Encmark, Top. Stereochem., 1981, 12, 155;
3. (c) J. H. Enemark and R. D. Feltham, Coord. Chem. Rev., 1974, 13, 339;
4. (d) G. B. Richter-Addo and P. Legzdins, Metal Nitrosyls; Oxford University Press., New York, 1992.
5. (a) M. Wolak and R. van Eldik, Coord Chem. Rev., 2002, 230, 263;
6. (b) J. A. Olabe and L. Slep, Comprehensive Coordination Chemistry 11, ed. J. A. McCleverty and T. J. Meyer, Pergamon, 1993, Vol. 1, p. 603;
7. (c) J. A. Olabe, Adv. Inorg. Chem., in print;
8. (d) J. A. McCleverty, Chem. Rev., 2004, 104, 403.
9. (a) Methods in Nitric Oxide Research, ed. M. Feelisch and J. S. Stamler, Wiley, Chichester, 1996;
10. (b) P. G. Wang, M. Xian, X. Tang, X. Wu, Z. Wen, T. Cai and A. Janczuk, Chem. Rev., 2002, 102, 1091;
11. (c) J. A. Hrabie and L. K. Reefer, Chem. Rev., 2002, 102, 1135;
12. (d) F. Murad, Angew. Chem. Int. Ed., 1999, 28, 1856.
13. B. A. Averill, Chem. Rev., 1996, 96, 2951.
14. (a) B. Serli, E. Zangrando, T. Gianferrara, L. Yellowlees and E. Alessio, Coord. Chem. Rev., 2003, 245, 73;
15. (b) E. Tfouni, M. Krieger, B. R. McGarvey and D. W. Franco, Coord. Chem. Rev., 2003, 236, 57;
16. (c) A. K. Patra and P. K. Mascharak, Inorg.Chem., 2003, 42, 7363.
17. J. T. Veal and D. J. Hodgson, Inorg. Chem., 1972, 11, 1420.
18. F. Bottomley, J. Chem. Soc., Dalton Trans., 1975, 2538.
19. A. V. Marchenko, A. N. Vedernikov, D. F. Dye, M. Pink, J. M. Zaleski and K. G. Caulton, Inorg. Chem., 2004, 43, 351.
20. A. Wanat, T. Schneppensieper, G. Stochel, R. van Eldik, E. Bill and K. Wieghardt, Inorg. Chem., 2002, 41, 4.
21. (a) C. K. Jargensen, Oxidation Numbers and Oxidation States, Springer, Berlin, 1969;
22. (b) M. D. Ward and J. A. McCleverty, J. Chem. Soc., Dalton Trans., 2002, 275.
23. (a) M. Wanner, T. Scheiring, W.Kaim, L. D. Slep, L. M. Baraldo, J. A. Olabe, S. Zalis and E. J. Baerends, Inorg. Chem., 2001, 40, 5704;
24. (b) S. Frantz, B. Sarkar, M. Sieger, W. Kaim, F. Roncaroli, J. A. Olabe and S. Zalis, Eur. J. Inorg. Chem., in print.
25. A. J. Fry in Laboratory Techniques in Electmanalytical Chemistry, ed. P. T. Kissinger and W. R. Heineman, Marcel Dekker, New York, 1996, 2nd edn., p 469.
26. (a) W. Kaim, R. Reinhardt and M. Sieger, Inorg. Chem., 1994, 33, 4453;
27. (b) W. Kaim, R. Reinhardt, E. Waldhör and J. Fiedler, J. Organomet. Chem., 1996, 524, 195;
28. (c) S. Frantz, R. Reinhardt, S. Greulich, M. Wanner, J. Fiedler, C. Duboc-Toia and W.Kaim, Dalton Trans., 2003, 3370;
29. (d) A. Dogan, B. Sarkar, A. Klein, F. Lissner, Th. Schleid, J. Fiedler, S. Zalis, V. K. Jain and W. Kaim, Inorg. Chem., submitted.
30. V. Johanek, S. Schauermann, M. Laurin, J. Libuda and H.-J. Freund, Angew. Chem., 2003, 115, 3147; V. Johanek, S. Schauermann, M. Laurin, J. Libuda and H.-J. Freund, Angew. Chem., Int. Ed. Engl., 2003, 42, 3035.
31. V. Johanek, S. Schauermann, M. Laurin, J. Libuda and H.-J. Freund, Angew. Chem., 2003, 115, 3147; V. Johanek, S. Schauermann, M. Laurin, J. Libuda and H.-J. Freund, Angew. Chem., Int. Ed. Engl., 2003, 42, 3035.
32. M. Sieger, M. Wanner, W. Kaim, D. J. Stufkens, T. L. Snoeck and S. Zalis, Inorg. Chem., 2003, 42, 3340.
33. (a) T. Mahabiersing, H. Luyten, R. C. Nieuwendam and F. Hartl, Collect. Czech. Chem. Commun., 2003, 68, 1687;
34. (b) W. Kaim, S. Ernst and V. Kasack, J. Am. Chem. Soc., 1990, 112, 173.
35. (a) C. Fonseca Guerra, J. G. Snijders, G. Te Velde and E. J. Baerends, Theor. Chim. Acc., 1998, 99, 391;
36. (b) S. J. A. van Gisbergen, J. G. Snijders and E. J. Baerends, Comput. Phys. Commun., 1999, 118, 119;
37. (c) M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scaimani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A.Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez and J. A. Pople, Gaussian 03, Revision B.02, Gaussian Inc., Pittsburgh PA, 2003.
38. (a) A. D. Becke, Phys. Rev. A, 1988, 38, 3098;
39. (b) A. D. Becke, Phys. Rev. A, 1988, 38, 3098.
40. J. P. Perdew, Phys. Rev. A, 1986, 33, 8822.
41. E. van Lenthe, A. van der Avoird and P. E. S. Wormer, J. Chem. Phys., 1998, 108, 4783.
42. E. van Lenthe, A. van der Avoird and P. E. S. Wormer, J. Chem. Phys., 1997, 107, 2488.
43. D. E. Woon and T. H. J. Dunning, J. Chem. Phys., 1993, 98, 1358.
44. D. Andree, U. Haeussermann, M. Dolg, H. Stoll and H. Preuss, Theor. Chim. Acta, 1990, 77, 123.
45. P. J. Stephens, F. J. Devlin, C. F. Cabalowski and M. J. Frisch, J. Phys. Chem., 1994, 98, 11623.
46. J. P. Perdew and Y. Wang, Phys. Rev. B, 1992, 45, 13244.