Substitution of chloride by nitrosyl ligand in a scorpionate ruthenium(III) compound: A theoretical study

Inorganica Chimica Acta

Volumn 362, Issue 12, 2009, Pages 4651-4658

  Aullón, Gabriel ^a   Alvarez, Santiago ^a   Cao, Roberto ^b   Ortiz, Mayreli ^b   Díaz García, Alicia M ^b  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITY OF HAVANA   (Cuba)

Author keywords

DFT calculations; Nitric oxide ligand; Ruthenium complexes

Indexed keywords

CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; ISOMERS; LIGANDS; NITRIC OXIDE; SUBSTITUTION REACTIONS;

COMPUTATIONAL RESULTS; DFT CALCULATION; LIGAND SUBSTITUTION REACTIONS; MONODENTATE LIGANDS; RUTHENIUM COMPLEXES; RUTHENIUM COMPLEXES (III); SUBSTITUTED PRODUCTS; TWO-STEP MECHANISMS;

RUTHENIUM COMPOUNDS;

EID: 68849092547     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2009.06.007     Document Type: Article

References (46)

1. In: Lancaster Jr. J. (Ed). Nitric Oxide, Principles and Actions (1996), Academic Press, San Diego
2. In: Feelish M., and Stamler J.S. (Eds). Methods in Nitric Oxide Research (1996), Wiley, Chichester
3. In: Ignarro L.J. (Ed). Nitric Oxide, Biology and Pathobiology (2000), Academic Press, San Diego
4. Murad F. Angew. Chem., Int. Ed. Engl. 38 (1999) 1857
5. Furchgott R.F. Angew. Chem., Int. Ed. Engl. 38 (1999) 1870
6. Ignarro L.J. Angew. Chem., Int. Ed. Engl. 38 (1999) 1882
7. Wang P.G., Xian M., Tang X., Wu X., Wen Z., Cai T., and Janczuk A.J. Chem. Rev. 102 (2002) 1091
8. Richter-Addo G.B., and Legzdins P. Metal Nitrosyls (1992), Oxford University Press, New York
9. Westcott B.L., and Enemark J.H. Transition metal nitrosyls. In: Solomon E.I., and Lever A.B.P. (Eds). Inorganic Electronic Structure and Spectroscopy, II: Applications and Case Studies (1999), Wiley, New York
10. Hayton T.W., Legzdins P., and Sharp W.B. Chem. Rev. 102 (2002) 935 and references therein
11. Ford P.C., and Lorkovic I.M. Chem. Rev. 102 (2002) 993
12. Odenkirk W., Rheingold A.L., and Bosnich B. J. Am. Chem. Soc. 114 (1992) 6392
13. Enemark J.H., and Feltham R.D. Coord. Chem. Rev. 13 (1974) 339
14. Addison A.W. J. Chem. Educ. 74 (1997) 1354
15. Tfouni E., Krieger M., McGarvey B.R., and Franco D.W. Coord. Chem. Rev. 236 (2003) 57
16. Cotton F.A., Wilkinson G., Murillo C.A., and Bochmann M. Advanced Inorganic Chemistry. sixth ed. (1999), Wiley, New York
17. Aullón G., Bellamy D., Brammer L., Bruton E., and Orpen A.G. Chem. Commun. (1998) 653
18. Ortiz M., Díaz A., Cao R., Otero A., and Fernández-Baeza J. Inorg. Chim. Acta 357 (2004) 19
19. Svetlanova-Larsen A., and Hubbard J.L. Inorg. Chem. 35 (1996) 3073
20. Harding P.A., Preece M., Robinson S.D., and Henrick K. Inorg. Chim. Acta 118 (1986) L31
21. Rheinwald G., Stoeckli-Evans H., and Suess-Fink G. J. Organomet. Chem. 441 (1992) 295
22. Orpen A.G., Brammer L., Allen F.H., Kennard O., Watson D.G., and Taylor R. J. Chem. Soc., Dalton Trans. II (1989) S1
23. Allen F.H., and Kennard O. Chem. Des. Autom. News 8 (1993) 31
24. Freundlich J.S., Schrock R.R., Cummins C.C., and Davis W.M. J. Am. Chem. Soc. 116 (1994) 6476
25. Knoch F., Thaler F., and Schindler S. Z. Kristallogr. 211 (1996) 717
26. Gelalcha F.G., Schulz M., Kluge R., and Sieler J. J. Chem. Soc., Dalton Trans. (2002) 2517
27. Gugger P.A., Hockless D.C.R., Swiegers G.F., and Wild S.B. Inorg. Chem. 33 (1994) 5671
28. Gunderman B.J., Squattrito P.J., and Dubey S.N. Acta Crystallogr., Sect. C 52 (1996) 1131
29. Kläui W., Berghahn M., Frank W., Reiss G.J., Schönherr T., Rheinwals G., and Lang H. Eur. J. Inorg. Chem. (2003) 2059
30. Coppens P., Novozhilova I., and Kovalevsky A. Chem. Rev. 102 (2002) 861 and references therein
31. Hadadzadeh H., DeRosa M.C., Yap G.P.A., Rezvani A.R., and Crutchley R.J. Inorg. Chem. 41 (2002) 6521
32. da Silva S.C., and Franco D.W. Spectrochim. Acta, Part A 55 (1999) 1515
33. Hodge S.J., Wang L.-S., Khan M.A., Young Jr. V.G., and Richter-Addo G.B. J. Chem. Soc., Chem. Commun. (1996) 2283
34. Richter-Addo G.B., Wheeler R.A., Hixson C.A., Chen L., Khan M.A., Ellison M.K., Schulz C.E., and Scheidt W.R. J. Am. Chem. Soc. 123 (2001) 6314
35. Ortiz M., Díaz A., Cao R., Suardíaz R., Otero A., Antoñolo A., and Fernández-Baeza J. Eur. J. Inorg. Chem. (2004) 3353
36. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian Inc., Pittsburgh, PA, 1998.
37. Becke A.D. J. Chem. Phys. 98 (1993) 5648
38. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
39. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 299
40. Wadt W.R., and Hay P.J. J. Chem. Phys. 82 (1985) 284
41. Höllwarth A., Böhme M., Dapprich S., Ehlers A.W., Gobbi A., Jonas V., Köhler K.F., Stegman R., Veldkamp A., and Frenking G. Chem. Phys. Lett. 208 (1993) 237
42. Hariharan P.C., and Pople J.A. Theor. Chim. Acta 28 (1973) 213
43. Francl M.M., Pietro W.J., Hehre W.J., Binkley J.S., Gordon M.S., Defrees D.J., and Pople J.A. J. Chem. Phys. 77 (1982) 3654
44. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899 and references therein
45. Tomasi J., and Persico M. Chem. Rev. 94 (1994) 2027
46. Amovilli C., Barone V., Cammi R., Cancès E., Cossi M., Mennucci B., Pomelli C.S., and Tomasi J. Adv. Quantum Chem. 32 (1998) 227