Synthesis, crystal, molecular and electronic structure of the [Re(NO)0.87Br2.13(PPh3)(PPh2py-P,N)] complex and DFT calculations of [Re(NO)Br2(PPh3)(PPh2py- P,N)]

Journal of Molecular Structure

Volumn 837, Issue 1-3, 2007, Pages 92-100

  Machura, B ^a   Kruszynski, R ^b  

^a UNIVERSITY OF SILESIA   (Poland)

^b LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

DFT calculations; Phosphine ligands; Rhenium nitrosyl complexes; X ray structure

Indexed keywords

CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; RHENIUM COMPOUNDS; X RAY CRYSTALLOGRAPHY;

PHOSPHINE LIGANDS; RHENIUM NITROSYL COMPLEXES; X-RAY STRUCTURE;

SYNTHESIS (CHEMICAL);

EID: 34247174895     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.10.007     Document Type: Article

References (23)

1. Richter-Addo G.B., and Legzdins P. Metal Nitrosyls (1992), Oxford University Press, Oxford
2. Wilkinson G. Comprehensive Coordination Chemistry vol. 2 (1987), Pergamon Press, Oxford
3. Richter-Addo G.B., Legzdins P., and Burstyn J. Chem. Rev. 102 (2002) 857
4. Hayton T.W., Legzdins P., and Sharp W.B. Chem. Rev. 102 (2002) 935
5. McCleverty J.A. Chem. Rev. 104 (2004) 403
6. Machura B. Coord. Chem. Rev. 249 (2005) 2277
7. Chermette H. Coord. Chem. Rev. 178-180 (1998) 699
8. Dzie{ogonek}gielewski J.O., Machura B., Kupka T., Bartczak T.J., and Czurak W. Polish J. Chem. 72 (1998) 1009
9. STOE & Cie (1999). X-RED. Version 1.18. STOE & Cie GmbH, Darmstadt, Germany.
10. Sheldrick G.M. Acta Cryst. A46 (1990) 467
11. G.M. Sheldrick, SHELXL97. Program for the Solution and Refinement of Crystal Structures, University of Gööttingen, Germany, 1997.
12. G.M. Sheldrick, SHELXTL: release 4.1 for Siemens Crystallographic Research Systems, 1990.
13. 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 03, Revision B.03, Gaussian, Inc., Pittsburgh PA, 2003.
14. Becke A.D. J. Chem. Phys. 98 (1993) 5648
15. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
16. 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
17. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 299
18. E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO (version 3.1).
19. Coe B.J., and Glenwright S.J. Coord. Chem. Rev. 203 (2000) 5
20. Haymore B.L., and Ibers I.A. Inorg. Chem. 14 (1975) 3060
21. Nakamoto K. Infrared and Raman Spectra of Inorganic and Coordination Compounds. fourth ed. (1986), Wiley, New York
22. Psaroudakis N., Mertis K., Liakos D.G., and Simandiras E.D. Chem. Phys. Lett. 369 (2003) 490
23. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899