Quantum-chemical study of transition metal complexes with benzene-1,2-dithiolate

Polyhedron

Volumn 30, Issue 2, 2011, Pages 307-314

  Šoralová, Stanislava ^a   Breza, Martin ^a   Gróf, Martin ^b  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

^b Department of Pharmaceutical Analysis and Nuclear Pharmacy   (Slovakia)

Author keywords

DFT method; Electron structure; Non innocent ligand; Oxidation state; Spin state

Indexed keywords

ELECTRONS; LIGANDS; METAL COMPLEXES; OXIDATION; QUANTUM CHEMISTRY; QUANTUM THEORY; SPIN DYNAMICS; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

DFT METHOD; DITHIOLATES; ELECTRON STRUCTURES; METALLOCYCLES; NON-INNOCENT LIGANDS; OXIDATION STATE; QUANTUM CHEMICAL STUDIES; SPIN STATE; TRANSITION-METAL COMPLEX; UNPAIRED ELECTRONS;

BENZENE;

EID: 78651408391     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2010.10.016     Document Type: Article

References (35)

1. M.-A. Kopf, and K.D. Karlin B. Meunier, Biomimetic Oxidations Catalyzed by Transition Metal Complexes 2000 Imperial College Press London
2. M.J. Romão, M. Archer, I. Moura, J.J.G. Moura, J. Legall, R. Engh, M. Schneider, P. Hof, and R. Huber Science 270 1995 1170
3. J.M. Tunney, J. McMaster, and C.D. Garner J.A. McCleverty, T.J. Meyer, Comp. Coord. Chem. II: Molybdenum and Tungsten Enzymes vol. 8 2004 Elsevier S.A. Amsterdam 459
4. J.R. Lancaster, The Bioinorganic Chemistry of Nickel 1988 VCH Weinheim
5. J.L. Zuo, F. You, X.Z. You, and H.K. Fun Polyhedron 8 1997 1465
6. P. Cassoux, L. Valade, H. Kobayashi, A. Kobayashi, R.A. Clark, and A.E. Underhill Coord. Chem. Rev. 110 1991 115
7. T. Szolnai Die chemoterapeutischen und pesticiden Wirkungen der Thiolreagenzien 1975 Akad. Kiádó Budapest p. 302
8. W.E. Geiger, and E. Minest Inorg. Chem. 14 1975 2141
9. F. Bigoli, P. Deplano, F.A. Devillanova, J.R. Ferraro, V. Lippolis, P.J. Lukes, M.L. Mercuri, M.A. Pellinghelli, E.F. Trogu, and J.M. Williams Inorg. Chem. 36 1997 1218
10. K.H. Drexhage, and U.T. Mueller-Westerhoff IEEE Quant. Electron. J. QE-8 1972 759
11. A.T. Coomber, D. Beljonne, R.H. Friend, J.L. Bredas, A. Charlton, N. Robertson, A.E. Underhill, M. Kurmoo, and P. Day Nature 380 1996 144
12. R. Cammack, V.M. Fernandez, K. Schneider, and J.R. Lancaster The Bioinorganic Chemistry of Nickel 1988 VCH New York
13. D. Sellmann, D. Häussinger, F. Knoch, and J.M. Moll J. Am. Chem. Soc. 118 1996 5368
14. G.N. Schrauzer, and V. Mayweg J. Am. Chem. Soc. 84 1962 3221
15. C.K. Jørgensen Coord. Chem. Rev. 1 1966 164
16. D. Herebian, E. Bothe, E. Bill, T. Weyhermller, and K. Wieghardt J. Am. Chem. Soc. 123 2001 10012
17. P. Zanello, and M. Corsini Coord. Chem. Rev. 250 2006 2000
18. F.H. Allen Acta Crystallogr., Sect. B 58 2002 380
19. C.L. Beswick, J.M. Schulman, and E.I. Stiefel K.D. Karlin, Dithiolene Chemistry: Synthesis, Properties and Applications vol. 52 2004 John Wiley and Sons 57
20. R. Eisenberg, and H.B. Gray Inorg. Chem. 6 1967 1844
21. P. Chaudhuri, C.N. Verani, E. Bill, E. Bothe, T. Weyhermller, and K. Wieghardt J. Am. Chem. Soc. 123 2001 2213
22. G. Periyasamy, N.A. Burton, I.H. Hillier, M.A. Vincent, H. Disley, J. McMaster, and C.D. Garner Faraday Discuss. 135 2007 469
23. D. Sellmann, H. Binder, D. Häußinger, F.W. Heinemann, and J. Sutter Inorg. Chim. Acta 300 2000 829
24. P. Zanello, E. Grigiotti, in: A.J.L. Pombeiro, C. Amatore (Eds.), Homoleptic, Mononuclear Transition Metal Complexes of 1,2-Dithiolenes: Updating their Electrochemical-to-Structural Properties, Fontis Media-Marcel Dekker Inc., 2004, p. 3.
25. R. Williams, E. Billig, J.H. Waters, and H.B. Gray J. Am. Chem. Soc. 88 1966 43
26. M.J. Baker-Hawkes, E. Billig, and H.B. Gray J. Am. Chem. Soc. 88 1966 4870
27. K. Mrkvová, J. Kameníček, Z. Šindelá ř, L. Kvítek, J. Mrozinski, M. Nahorska, and Z. Žák Transition Met. Chem. 29 2003 238
28. J. Walla, Z. Smékal, and J. Kameníček Acta Univ. Palacki. Olom. 37 1998 61
29. J. Kameníček, J. Walla, and Z. Šindelá ř Coll 1998 Abstracts of XXXIII ICCC Firenze
30. 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 03, Revision C.1 2003 Gaussian Inc. Pittsburgh, PA
31. R.F.W. Bader Atoms in Molecules: A Quantum Theory 1990 Clarendon Press Oxford
32. F. Biegler-König, J. Schönbohm, and D. Bayles J. Comp. Chem. 22 2001 545
33. < http://www.aim2000.de/ >.
34. P. Ugliengo, moldraw: A Program to Display and Manipulate Molecular and Crystal Structures, Torino, 2006. Available from: < www.moldraw.unito.it >.
35. S. Šoralová, and M. Breza Polyhedron 29 2010 2440