Synthesis and structure study of some catecholase-mimetic iron complexes

Inorganica Chimica Acta

Volumn 359, Issue 8, 2006, Pages 2329-2336

  Megyes, Tünde ^a   May, Zoltán ^a   Schubert, Gábor ^a   Grósz, Tamás ^a   Simándi, László I ^a   Radnai, Tamás ^a  

^a CHEMICAL RESEARCH CENTER   (Hungary)

Author keywords

Cathecolase mimetic action; Iron(II) complexes; Solution structure; Structure of complexes; X ray diffraction

Indexed keywords

BIOMIMETICS; DENSITY OF GASES; ELECTRONIC STATES; GROUND STATE; HYDROGEN BONDS; SYNTHESIS (CHEMICAL); X RAY DIFFRACTION;

CATHECOLASE MIMETIC ACTION; COORDINATION SPHERE; EFFECT OF SOLVENTS; ELECTRONIC GROUND STATE; GEOMETRY OPTIMIZATION; IRON COMPLEX; SOLUTION STRUCTURES; X-RAY DIFFRACTION TECHNIQUES;

IRON COMPOUNDS;

EID: 84962374499     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2005.05.041     Document Type: Article

References (48)

1. Solomon E.I., Sundaram U.M., and Machonkin T.E. Chem. Rev. 96 (1996) 2563
2. Than R., Feldmann A.A., and Krebs B. Coord. Chem. Rev. 182 (1999) 211
3. Gerdemann C., Eicken Ch., and Krebs B. Acc. Chem. Res. (2002) 183
4. Zhang C.X., Liang H.-C., Humphreys K.J., and Karlin K.D. In: Simándi L.I. (Ed). Advances in Catalytic Activation of Dioxygen by Metal Complexes (2003), Kluwer Academic Publishers, Dordrecht 79-121
5. Triller M.U., Pursche D., Hsieh W.Y., Pecoraro V.L., Rompel A., and Krebs B. Inorg. Chem. 42 (2003) 6274
6. Pecoraro V.L., Baldwin M.J., and Gelasco A. Chem. Rev. 94 (1994) 807
7. Wu A.J., Penner-Hahn J.E., and Pecoraro V.L. Chem. Rev. 104 (2004) 903
8. Gentschev P., Möller N., and Krebs B. Inorg. Chim. Acta 300 (2000) 442
9. Wegner R., Gottschaldt M., Görls H., Jäger E.-G., and Klemm D. Chem. Eur. J. 7 (2001) 2143
10. Funabiki T. In: Simándi L.I. (Ed). Advances in Catalytic Activation of Dioxygen by Metal Complexes (2003), Kluwer Academic Publishers, Dordrecht 157-226
11. Funabiki T., Sakamoto H., Yoshida S., and Tarama K. J. Chem. Soc., Chem. Commun. (1979) 754
12. Fernandes C., Neves A., Bortoluzzi A.J., Mangrich A.S., Rentschler E., Spoganicz B., and Schwingel E. Inorg. Chim. Acta 320 (2001) 12
13. Mukherjee S., Weyhermüller T., Bothe E., Wieghardt K., and Chaudhuri P. Dalton Trans. (2004) 3842
14. Chaudhuri P. Coord. Chem. Rev. 243 (2003) 143
15. Costas M., Mehn M.P., Jensen M.P., and Que L. Chem. Rev. 104 (2004) 939
16. Simándi L.I., Barna T.M., Argay Gy., and Simándi T.M. Inorg. Chem. 34 (1995) 6337
17. Simándi L.I., and Simándi T.L. J. Mol. Catal. A 117 (1997) 299
18. Simándi L.I., and Simándi T.M. J. Chem. Soc., Dalton Trans. (1998) 3275
19. Simándi T.L., and Simándi L.I. React. Kinet. Catal. Lett. 65 (1998) 301
20. Simándi T.L., and Simándi L.I. J. Chem. Soc., Dalton Trans. (1999) 4529
21. Simándi L.I., and Simándi T.L. J. Inorg. Biochem. 86 (2001) 432
22. Simándi L.I., Barna T.M., Korecz L., and Rockenbauer A. Tetrahedron Lett. 34 (1993) 717
23. Simándi L.I., Barna T.M., and Németh S. J. Chem. Soc., Dalton Trans. (1996) 473
24. Simándi T.M., Simándi L.I., Gyo{combining double acute accent}r M., Rockenbauer A., and Gömöry A. Dalton Trans. (2004) 1056
25. Simándi L.I., Simándi T.M., May Z., and Besenyei G. Coord. Chem. Rev. 245 (2003) 85
26. Simándi T.M., Simándi L.I., May Z., and Szigyártó I.Cs. Dalton Trans. (2005) 365
27. Uhlig E., and Friedrich M. Z. Anorg. Allg. Chem. 343 (1966) 299
28. May Z., Besenyei G., Simándi L.I., Asari D., and Funabiki T. J. Inorg. Biochem. 86 (2001) 332
29. Radnai T., and Ohtaki H. Mol. Phys. 87 (1996) 103
30. Hajdu F., and Pálinkás G. J. Appl. Crystallogr. 5 (1972) 395
31. H.A. Levy, M.D. Danford, A.H. Narten, Oak Ridge National Laboratory Report, No. 3960, 1966.
32. Hajdu F. Acta Crystallogr., Sect. A 28 (1972) 250
33. Pálinkás G., and Radnai T. Acta Crystallogr., Sect. A 32 (1976) 666
34. Krogh-Moe K. Acta Crystallogr. 2 (1956) 951
35. Cromer D.T., and Waber J.T. Acta Crystallogr., Sect. A 18 (1965) 104
36. International Tables for X-ray Crystallography, vol. 4, The Kynoch Press, Birmingham, 1974.
37. Z. May, L. Párkányi, L.I. Simándi, Single-crystal X-ray measurements, unpublished data.
38. Kálmán E., Radnai T., Pálinkás G., Hajdu F., and Vértes A. Electrochim. Acta 33 (1988) 1223
39. Inada Y., Sugimoto K., Ozutsumi K., and Funahashi S. Inorg. Chem. 33 (1994) 1875
40. Narten A.H., and Habenschuss A. J. Chem. Phys. 80 (1984) 3387
41. E.J. Baerends, J. Autschbach, A. Bérces, C. Bo, P.M. Boerrigter, L. Cavallo, D.P. Chong, L. Deng, R.M. Dickson, D.E. Ellis, L. Fan, T.H. Fischer, C. Fonseca Guerra, S.J.A. van Gisbergen, J.A. Groeneveld, O.V. Gritsenko, M. Grüning, F.E. Harris, P. van den Hoek, H. Jacobsen, G. van Kessel, F. Kootstra, E. van Lenthe, D.A. McCormack, V.P. Osinga, S. Patchkovskii, P.H.T. Philipsen, D. Post, C.C. Pye, W. Ravenek, P. Ros, P.R.T. Schipper, G. Schreckenbach, J.G. Snijders, M. Sola, M. Swart, D. Swerhone, G. te Velde, P. Vernooijs, L. Versluis, O. Visser, E. van Wezenbeek, G. Wiesenekker, S.K. Wolff, T.K. Woo, T. Ziegler, adf-2004.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands. Available from: .
42. Becke A.D. Phys. Rev. A 38 (1988) 3098
43. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
44. Boone A.J., Chang C.H., Greene S.N., Herz T., and Richards N.G.J. Coord. Chem. Rev. 238 (2003) 291
45. Chang C.H., Boone A.J., Bartlett R.J., and Richards N.G.J. Inorg. Chem. 43 (2004) 458
46. Becke A.D. J. Chem. Phys. 98 (1993) 5648
47. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery Jr. J.A., 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., Rega N., 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., and Pople J.A. gaussian-98, Revision A.11.4 (2002), Gaussian, Inc., Pittsburgh, PA
48. Miertus S., Scrocco E., and Tomasi J. J. Chem. Phys. 55 (1981) 117