Novel p-tolylimido rhenium(V) complexes of imidazole-derived ligand - Synthesis, X-ray studies, spectroscopic characterization and DFT calculations

Polyhedron

Volumn 31, Issue 1, 2012, Pages 128-135

  MacHura, B ^a   Gryca, I ^a   Wolff, M ^a  

^a UNIVERSITY OF SILESIA   (Poland)

Author keywords

2 Hydroxymethylbenzimidazole; DFT and TDDFT calculations; Electronic structure; Imido rhenium complexes; NBO analysis; X ray

Indexed keywords

EID: 84155171144     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2011.09.006     Document Type: Article

References (39)

1. S.S. Jurisson, and J.D. Lydon Chem. Rev. 99 1999 2205
2. S. Liu, and D.S. Edwards Chem. Rev. 99 1999 2235
3. E.S. Mull, V.J. Sattigeri, A.L. Rodriguez, and J.A. Katzenellenbogen Bioorg. Med. Chem. 10 2002 1381
4. P. Blower Dalton Trans. 2006 1705
5. U. Abram, and R. Alberto J. Braz. Chem. Soc. 17 2006 1486
6. B. Coutinho, D. Dawson, J.R. Dilworth, J.R. Miller, M. Rosser, C.M. Archer, and J.D. Kelly M. Nicolini, G. Bandoli, U. Mazzi, Technetium and Rhenium in Chemistry and Nuclear Medicine, Vol. 3 1995 S.G. Editoriali Padova
7. M. Tadokoro, and K. Nakasuji Coord. Chem. Rev 198 2000 205
8. S.E. Castillo-Blum, and N. Barba-Behrens Coord. Chem. Rev 196 2000 3
9. E. Reed, L.A. Curtiss, and F. Weinhold Chem. Rev. 88 1988 899
10. F. Neese Coord. Chem. Rev 253 2009 526
11. J. Gancheff, C. Kremer, E. Kremer, and O.N. Ventura J. Mol. Struct. (Theochem) 580 2002 107
12. J.S. Gancheff, P.A. Denis, and F.E. Hahn J. Mol. Struct. (Theochem) 941 2010 1
13. J. Chatt, J.D. Garforth, N.P. Johnson, and G.A. Rowe J. Chem. Soc. 1964 1012
14. CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.34.49, 2011.
15. G.M. Sheldrick Acta Cryst. A64 2008 112
16. 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, V. Bakken, 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 D.01 2004 Gaussian, Inc. Wallingford, CT
17. P.J. Hay, and W.R. Wadt J. Chem. Phys. 82 1985 299
18. K. Eichkorn, F. Weigend, O. Treutler, and R. Ahlrichs Theor. Chem. Acc. 97 1997 119
19. P.M.W. Gill, B.G. Johnson, J.A. Pople, and M.J. Frisch Chem. Phys. Lett. 197 1992 499
20. M.E. Casida J.M. Seminario, Recent Developments and Applications in Modern Density Functional Theory, Theoretical and Computational Chemistry vol. 4 1996 Elsevier Amsterdam
21. NBO Version 3.1, E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold.
22. B. Machura, R. Kruszynski, M. Jaworska, J. Kłak, and J. Mroziński Polyhedron 25 2006 2537
23. B. Royo, E. Herdtweck, and C.C. Romão Eur. J. Inorg. Chem. 2004 3305
24. A.R. Cowley, J.R. Dilworth, P.S. Donnelly, and J. Woollard-Shore Dalton Trans. 2003 748
25. K. Nakamoto Infrared and Raman Spectra of Inorganic and Coordination Compounds 4th. Ed. 1986 Wiley-Interscience New York
26. L. Wei, J. Zubieta, and J.W. Babich Inorg. Chem. 43 2004 6445
27. G. Bandoli, T.I.A. Gerber, J. Perils, and J.G.H. du Preez Inorg. Chim. Acta 278 1998 96
28. I. Booysen, T.I.A. Gerber, E. Hosten, and P. Mayer J. Coord. Chem. 60 2007 1749
29. J.B. Arterburn, K.V. Rao, D.M. Goreham, M.V. Valenzuela, M.S. Holguin, K.A. Hall, K.C. Ott, and J.C. Bryan Organometallics 19 2000 1789
30. G. Bandoli, A. Dolmella, T.I.A. Gerber, J. Perils, and J.G.H. du Preez Bull. Chem. Soc. Ethiop. 16 2002 149
31. T.I.A. Gerber, D.G. Luzipo, and P. Mayer J. Coord. Chem. 59 2006 1515
32. J.B. Arterburn, I.M. Fogarty, K.A. Hall, K.C. Ott, and J.C. Bryan Angew. Chem., Int. Ed. 35 1996 2877
33. B. Machura, and R. Kruszynski Polyhedron 24 2005 1454
34. G.A. Jeffrey, and W. Saenger Hydrogen Bonding in Biological Structures 1994 Springer-Verlag
35. U. Wittern, J. Strahle, and U. Abram Z. Naturforsch., B: Chem. Sci. 50 1995 997
36. U. Wittern, J. Strahle, and U. Abram Z. Anorg. Allg. Chem. 621 1995 1338
37. B. Machura, R. Kruszynski, and M. Jaworska Polyhedron 24 2005 1454
38. S.R. Flechter, and A.C. Skapski J. Chem. Soc., Dalton 1972 1073
39. I. Ara, P.E. Fanwick, and R.A. Walton J. Cluster Sci. 3 1992 83