Tricarbonyl rhenium complexes of bis(pyrazol-1-yl)methane and bis(3,5-dimethylpyrazol-1-yl)methane - Synthesis, spectroscopic characterization, X-ray structure and DFT calculations

Polyhedron

Volumn 27, Issue 6, 2008, Pages 1767-1778

  Machura, B ^a   Kruszynski, R ^b   Jaworska, M ^a   Lodowski, P ^a   Penczek, R ^a   Kusz, J ^a  

^a UNIVERSITY OF SILESIA   (Poland)

^b LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

DFT calculations; Rhenium(I) carbonyl complexes; UV Vis spectra; X ray structure

Indexed keywords

CHELATION; DENSITY FUNCTIONAL THEORY; LIGANDS; METHANE; SYNTHESIS (CHEMICAL); ULTRAVIOLET VISIBLE SPECTROSCOPY; X RAY ANALYSIS;

CARBONYL COMPLEXES; DENSITY-FUNCTIONAL THEORY CALCULATIONS; N LIGANDS; N-LIGANDS; RHENIA(I) CARBONYL COMPLEX; RHENIUM COMPLEXES; SPECTROSCOPIC CHARACTERIZATION; TRICARBONYL RHENIUMS; UV-VIS SPECTRUM; X-RAY STRUCTURE;

RHENIUM COMPOUNDS;

EID: 41449087154     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2008.02.019     Document Type: Article

References (44)

1. Balzani V., Juris A., Venturi M., Campagna S., and Serroni S. Chem. Rev. 96 (1996) 759
2. Stufkens D.J., and Vlček Jr. A. Coord. Chem. Rev. 177 (1998) 127
3. Farrell I.R., and Vlček Jr. A. Coord. Chem. Rev. 208 (2000) 87
4. Vogler A., and Kunkely H. Coord. Chem. Rev. 200-202 (2000) 991
5. Striplin D.R., and Crosby G.A. Coord. Chem. Rev. 211 (2001) 163
6. Vlček Jr. A., and Busby M. Coord. Chem. Rev. 250 (2006) 1755
7. Ranjan S., Li S.-Y., Hwang K.-C., Ching W.-L., Liu C.-S., Tao Y.-T., Chien C.-H., Peng S.-M., and Lee G.-H. Inorg. Chem. 42 (2003) 1248
8. Li F., Cheng G., Zhao Y., Feng J., Liu S., Zhang M., Ma Y., and Shen J. Appl. Phys. Lett. 83 (2003) 4716
9. Christensen P., Hamnett A., Muir A.V.G., and Timney J.A. J. Chem. Soc., Dalton Trans. (1992) 1455
10. Hori H., Johnson F.P.A., Koike K., Takeuchi K., Ibusuki T., and Ishitani O. J. Chem. Soc., Dalton Trans. (1997) 1019
11. Jurisson S.S., and Lydon J.D. Chem. Rev. 99 (1999) 2205
12. Volkert W.A., and Hoffman T.J. Chem. Rev. 99 (1999) 2269
13. Pettinari C., and Pettinari R. Coord. Chem. Rev. 249 (2005) 663
14. Tang L.-F., Wang Z.-H., Jia W.-L., Xu Y.-M., and Wang J.T. Polyhedron 19 (2000) 381
15. Teuma E., Loy M., Le Berre C., Etienne M., Daran J.C., and Kalck P. Organometallics 22 (2003) 5261
16. Van Langenberg K.A., Moubaraki B., Murray K.S., and Tiekink E.R.T. Z. Kristallogr. - New Cryst. Struct. 218 (2003) 345
17. Ruiz J., Rodriguez V., De Haro C., Perez J., and Lopez G. Inorg. Chim. Acta 357 (2004) 2331
18. Ruiz J., Cutillas N., Vincente C., Villa M.D., Lopez G., Lorenzo J., Aviles F.X., Moreno V., and Bautista D. Inorg. Chem. 44 (2005) 7365
19. Potapov A.S., and Khlebnikov A.I. Polyhedron 25 (2006) 2683
20. Reger D.L., Gardinier J.R., Pellechia P.J., Smith M.D., and Brown K.J. Inorg. Chem. 42 (2003) 7635
21. Porchia M., Papini G., Santini C., Lobia G.G., Pellei M., Tisato F., Bandoli G., and Dolmella A. Inorg. Chem. 44 (2005) 4045
22. Chermette H. Coord. Chem. Rev. 178-180 (1998) 699
23. Vlček Jr. A., and Záliš S. Chem. Rev. 208 (2000) 87
24. Julia S., Sala P., del Mazo J., Sancho M., Ochoa C., Elguero J., Fayet J.P., and Vertut M.C. J. Heterocyclic Chem. 19 (1982) 1141
25. STOE & Cie, X-RED. Version 1.18. STOE & Cie GmbH, Darmstadt, Germany, 1999.
26. CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.29.2.
27. Sheldrick G.M. Acta Crystallogr. A46 (1990) 467
28. Sheldrick G.M. shelxl97. Program for the Solution and Refinement of Crystal Structures (1997), University of Gööttingen, Germany
29. G.M. Sheldrick, shelxtl: Release 4.1 for Siemens Crystallographic Research Systems, 1990.
30. Becke A.D. J. Chem. Phys. 98 (1993) 5648
31. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
32. Becke A.D. Phys. Rev. A 38 (1988) 3098
33. gaussian 03, Revision B.03: 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, J.A. Pople, Gaussian Inc., Pittsburgh, PA, 2003.
34. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 299
35. Eichkorn K., Weigend F., Treutler O., and Ahlrichs R. Theor. Chem. Acc. 97 (1997) 119
36. Andrae D., Haussermann U., Dolg M., Stoll H., and Preuss H. Theor. Chim. Acta 77 (1990) 123
37. Hariharan P.C., and Pople J.A. Theor. Chim. Acta 28 (1973) 213
38. Rassolov V.A., Ratner M.A., Pople J.A., Redfern P.C., and Curtiss L.A. J. Comp. Chem. 22 (2001) 976
39. Casida M.E. In: Seminario J.M. (Ed). Recent Developments and Applications in Modern Density Functional Theory. Theoretical and Computational Chemistry vol. 4 (1996), Elsevier, Amsterdam
40. Ahlrichs R., Bär M., Häser M., Horn H., and Kölmel C. Chem. Phys. Lett. 162 3 (1989) 165
41. turbomole has been designed by the Quantum Chemistry Group, University of Karlsruhe, Germany, since 1988. The following members of the group have made contributions: Reinhart Ahlrichs, Michael Bär, Hans-Peter Baron, Rüdiger Bauernschmitt, Stephan Böcker, Nathan Crawford, Peter Deglmann, Michael Ehrig, Karin Eichkorn, Simon Elliott, Filipp Furche, Frank Haase, Marco Häser, Christof Hättig, Arnim Hellweg, Hans Horn, Christian Huber, Uwe Huniar, Marco Kattannek, Andreas Köhn, Christoph Kölmel, Markus Kollwitz, Klaus May, Paola Nava, Christian Ochsenfeld, Holger Öhm, Holger Patzelt, Dmitrij Rappoport, Oliver Rubner, Ansgar Schäfer, Uwe Schneider, Marek Sierka, Oliver Treutler, Barbara Unterreiner, Malte von Arnim, Florian Weigend, Patrick Weis, Horst Weiss, http://www.turbomole.com.
42. Giordano P.J., and Wrighton M.S. J. Am. Chem. Soc. 101 (1979) 2888
43. Jeffrey G.A., and Saenger W. Hydrogen Bonding in Biological Structures (1994), Springer-Verlag
44. Desiraju G.R., and Steiner T. The Weak Hydrogen Bond in Structural Chemistry and Biology (1999), Oxford University Press