A novel tricarbonyl rhenium complex of 2-thienyl-N,N-bis(2-thienylmethylene)methanediamine - X-ray structure, spectroscopic characterisation and DFT calculations

Polyhedron

Volumn 26, Issue 12, 2007, Pages 2543-2549

  Machura, B ^a   Kruszynski, R ^b   Kusz, J ^a  

^a UNIVERSITY OF SILESIA   (Poland)

^b LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

DFT calculations; Rhenium carbonyl complexes; UV Vis spectrum; X ray structure

Indexed keywords

DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS; ULTRAVIOLET VISIBLE SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

DENSITY FUNCTIONAL THEORY METHODS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; RHENIUM CARBONYL COMPLEXES; RHENIUM COMPLEXES; SPECTROSCOPIC CHARACTERIZATION; THIENYL; TRICARBONYL RHENIUMS; UV-VIS SPECTRUM; UV/ VIS SPECTROSCOPY; X-RAY STRUCTURE;

RHENIUM COMPOUNDS;

EID: 34347243544     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2006.12.038     Document Type: Article

References (31)

1. Balzani V., Juris A., Venturi M., Campagna S., and Serroni S. Chem. Rev. 96 (1996) 759
2. Stuffkens 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 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. Farrell J.R., Becker C., Lavoie D.P., Shaw J.L., and Ziegler Ch.J. J. Organomet. Chem. 689 (2004) 1122
14. Stott T.L., and Wolf M.O. Coord. Chem. Rev. 246 (2003) 89
15. Chermette H. Coord. Chem. Rev. 178-180 (1998) 699
16. crysalis red, Oxford Diffraction Ltd., Version 1.171.29.2.
17. Sheldrick G.M. Acta Crystallogr., Sect. A 46 (1990) 467
18. Sheldrick G.M. shelxl 97. Program for the Solution and Refinement of Crystal Structures (1997), University of Göttingen, Germany
19. G.M. Sheldrick, shelxtl: release 4.1 for Siemens Crystallographic Research Systems, 1990.
20. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery Jr. J.A., Vreven T., Kudin K.N., Burant J.C., Millam J.M., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J.E., Hratchian H.P., Cross J.B., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., 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., Gonzalez C., and Pople J.A. gaussian 03, Revision B.03 (2003), Gaussian, Inc., Pittsburgh, PA
21. Becke A.D. J. Chem. Phys. 98 (1993) 5648
22. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
23. 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
24. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 299
25. E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO (version 3.1).
26. Giordano P.J., and Wrighton M.S. J. Am. Chem. Soc. 101 (1979) 2888
27. Nakamoto K. Infrared and Raman Spectra of Inorganic and Coordination Compounds. 4th ed. (1986), Wiley-Interscience, New York
28. Jeffrey G.A., and Saenger W. Hydrogen Bonding in Biological Structures (1994), Springer-Verlag
29. Desiraju G.R., and Steiner T. The Weak Hydrogen Bond in Structural Chemistry and Biology (1999), Oxford University Press
30. Cambridge Structural Database, version 1.8, 2005.
31. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899