Theoretical studies on the interaction of the CrO42- and SO42- anions with biologically relevant ligands: NO+, NO, O2+, •oH imidazole and methylimidazoles

Chemical Physics

Volumn 317, Issue 1, 2005, Pages 49-56

  Daszkiewicz, Marek ^a   Baran, Jakub ^a   Cieślak Golonka, Maria ^a  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Chromate anion; DFT method; Imidazole; Methylimidazoles; Sulfate anion

Indexed keywords

EID: 25444502965     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2005.05.027     Document Type: Article

References (58)

1. T. Leustek, and K. Saito Plant Physiol. 120 1999 637
2. F.W. Smith, A.L. Rae, and M.J. Hawkesford Biochim. Biophys. Acta 1465 2000 236
3. P.D. Beer, and E.J. Hayes Coord. Chem. Rev. 240 2003 167 and the references therein
4. A. Levina, R. Codd, C.T. Dillon, and P.A. Lay Prog. Inorg. Chem. 51 2003 145
5. P.A. Lay, and A. Levina J.A. McCleverty T.J. Meyer Comprehensive Coordination Chemistry II vol. 4 2004 Elsevier Oxford 313
6. I. Mulyani, A. Levina, and P.A. Lay Angew. Chem. 116 2004 4604
7. A. Levina, and P.A. Lay Coord. Chem. Rev. 249 2005 281
8. M. Cieslak-Golonka, M. Daszkiewicz, Coord. Chem. Rev., (2005) in press.
9. A.K. Das Coord. Chem. Rev. 248 2004 81
10. N.E. Brasch, D.A. Buckingham, A.B. Evans, and C.R. Clark J. Am. Chem. Soc. 118 1996 7969
11. R. Stomberg, and I.-B. Ainalem Acta Chem. Scand. 22 1968 1439
12. D.A. Vander Griend, J.S. Golden, and Ch.A. Arrington Jr. Inorg. Chem. 41 2002 7042
13. P. Gili, A. Mederos, P.A. Lorenzo-Luis, E. Medina de la Rosa, and A. Muñoz Inorg. Chim. Acta 331 2002 16
14. Y. Inada, and S. Funahashi Z. Naturforsch. B 52 1997 711
15. see for exmaple A. Messerschmidt Adv. Inorg. Chem. 40 1993 121
16. P. Chaudhuri, I. Karpenstein, M. Winter, M. Lengen, Ch. Butzlaff, E. Bill, A.X. Trautwein, U. Floerke, and H.J. Haupt Inorg. Chem. 32 1993 888
17. E. Frieden J. Chem. Educ. 62 1985 917
18. J.A. McCleverty Chem. Rev. 104 2004 403
19. 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. Scalmani, 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, Inc., Pittsburgh, PA, 2003.
20. A.D. Becke J. Chem. Phys. 98 1993 5648
21. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
22. B. Miehlich, A. Savin, H. Stoll, and H. Preuss Chem. Phys. Lett. 157 1989 200
23. S.H. Vosko, L. Wilk, and M. Nusair Can. J. Phys. 58 1980 1200
24. P.J. Hay, and W.R. Wadt J. Chem. Phys. 82 1985 270
25. P. Gili, P. Martin-Zarza, and P.A. Lorenzo-Luis Inorg. Chim. Acta 357 2004 3397
26. A.B.P. Lever Inorganic Electronic Spectroscopy 1984 Elsevier New York
27. L. Serrano-Andres, M.P. Fülscher, and B.O. Roos J. Phys. Chem. 100 1996 6484
28. G.-S. Li, M.F. Ruiz-Lopez, M.-S. Zhang, and B. Maigret J. Mol. Struct. (Theochem) 422 1998 197
29. F.H. Allen, J.E. Davies, J.J. Galloy, O. Johnson, O. Kennard, C.F. Macrae, E.M. Mitchell, J.M. Smith, and D.G. Watson J. Chem. Inf. Comp. Sci. 31 1991 187 (Cambridge Structural Database 2004)
30. A. Levina, and P.A. Lay Inorg. Chem. 43 2004 324
31. J.E. Huheey Inorganic Chemistry: Principles of Structure and Reactivity second ed. 1978 Harper International New York, Hagerstown, San Francisco, London
32. A.K. Mukherjee, A. Mukhopadhaya, M. Mukherjee, and S. Ray Acta Crystallogr., Sect. C 50 1994 1401
33. P. Martin-Zarza, P. Gili, C. Ruiz-Perez, F.V. Rodriguez-Romero, G. Lotter, J.M. Arrieta, M. Torrent, J. Mestres, M. Sola, and M. Duran Inorg. Chim. Acta 258 1997 53
34. D. Braga, F. Grepioni, E. Tagliavini, J.J. Novoa, and F. Mota New J. Chem. 22 1998 755
35. M.L. Calatayud, I. Castro, J. Sletten, F. Lloret, and M. Julve Inorg. Chim. Acta 300 2002 846
36. A. Pietraszko, W. Bronowska, A. Wojciechowska, Z. Staszak, and M. Cieslak-Golonka Pol. J. Chem. 76 2002 309
37. R.J. Staples Z. Krist-New Cryst. Struct. 216 2001 395
38. P. Dera, A. Katrusiak, and M. Szafranski Pol. J. Chem. 74 2000 1637
39. W.H. Watson, and Z. Taira Cryst. Struct. Commun. 6 1977 441
40. R.E. Marsh, and J. Waser Acta Crystallogr., Sect. B 26 1970 1030
41. B. Jaki, O. Sticher, M. Veit, R. Frohlich, and G.F. Pauli J. Nat. Prod. 65 2002 517
42. S. Campestrini, and M. Crisma Molecules 5 2000 886
43. J.P. Kehrer Toxicology 149 2000 43
44. R.V. Lloyd, P.M. Hanna, and R.P. Mason Free Radic. Biol. Med. 22 1997 885
45. A.M. Komarov, D.A. Wink, M. Feelisch, and H.H.H.W. Schmidt Free Radic. Biol. Med. 28 2000 739 and the references therein
46. S. Leonard, S. Wang, L. Zang, V. Castranova, V. Vallyathan, and X. Shi J. Environ. Pathol. Toxicol. Oncol. 19 2000 49
47. G.-S. Li, M.T.C. Martins-Costa, C. Millot, and M.F. Ruiz-Lopez Chem. Phys. Lett. 297 1998 38
48. M.D. unpublished results.
49. Q.-Y. Chen, Z.-Q. Pan, Q.-H. Luo, L.-M. Zhen, X.-L. Hu, Z.-L. Wang, Z.-Y. Zhou, and C.-H. Yeung J. Chem. Soc., Dalton Trans. 2002 1315
50. S.Y. Niu, J. Jin, Z.Z. Yang, G.D. Yang, and L. Ye J. Mol. Struct. 643 2002 123
51. J.C. MacDonald, P.C. Dorrestein, M.M. Pilley, M.M. Foote, J.L. Lundburg, R.W. Henning, A.J. Schultz, and J.L. Manson J. Am. Chem. Soc. 122 2000 11692
52. M. Dan, K. Sivashankar, A.K. Cheetham, and C.N.R. Rao J. Solid State Chem. 174 2003 60
53. M. Medebielle, M.A. Oturan, J. Pinson, and J.-M. Saveant J. Org. Chem. 61 1996 1331
54. P.T. Connett, and K.E. Wetterhahn Struct. Bond. 54 1983 93
55. F. Sahureka, R.C. Burns, and E.I. von Nagy-Felsobuki Inorg. Chim. Acta 332 2002 7
56. G. Michel, and R. Machiroux J. Raman Spectr. 14 1983 22
57. G. Michel, and R. Cahay J. Raman Spectr. 17 1986 79
58. V. Poulopoulu, E. Vrachnou, S. Koinis, and D. Katakis Polyhedron 16 1997 521