Synthesis and X-ray crystal structure of a cationic homoleptic (SPS) 2Rh(III) complex and EPR study of its reduction process

Inorganic Chemistry

Volumn 44, Issue 4, 2005, Pages 1147-1152

  Doux, Marjolaine ^a   Mézailles, Nicolas ^a   Ricard, Louis ^a   Le Floch, Pascal ^a   Adkine, Prashant ^b   Berclaz, Théo ^b   Geoffroy, Michel ^b  

^a LABORATOIRE HÉTÉROÉLÉMENTS ET COORDINATION   (France)

^b UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ANION; CATION; LIGAND; METAL COMPLEX; RHODIUM COMPLEX; THIOPHENE DERIVATIVE;

ANISOTROPY; ARTICLE; CRYSTAL STRUCTURE; CYCLIC POTENTIOMETRY; DENSITY FUNCTIONAL THEORY; ELECTROCHEMISTRY; ELECTRON SPIN RESONANCE; PHOSPHORUS NUCLEAR MAGNETIC RESONANCE; STRUCTURE ANALYSIS; SYNTHESIS; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

EID: 13844297456     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic049046+     Document Type: Article

References (36)

1. (a) Albrecht, M.; Van Koten, G. Angew. Chem., Int. Ed. 2001, 40, 3750-3781.
2. (b) van der Boom, M. E.; Milstein, D. Chem. Rev. 2003, 103, 1759-1792.
3. (c) Singleton, J. T. Tetrahedron Lett. 2003, 59, 1837-1857.
4. (d) Braunstein, P.; Naud, F. Angew. Chem., Int. Ed. 2001, 40, 680-699.
5. (e) Walsh, P. J.; Lurain, A. E.; Balsells, J. Chem. Rev. 2003, 103, 3297-3344.
6. Doux, M.; Mézailles, N.; Ricard, L.; Le Floch, P. Organometallics 2003, 22, 4624-4626.
7. Doux, M.; Mézailles, N.; Ricard, L.; Le Floch, P. Eur. J. Inorg. Chem. 2003, 3878-3894.
8. Doux, M.; Mézailles, N.; Melaimi, M.; Ricard, L.; Le Floch, P. Chem. Commun. 2002, 1566-1567.
9. (a) DeWitt, D. G. Coord. Chem. Rev. 1996, 147, 209-246.
10. (b) Pandey, K. K. Coord. Chem. Rev. 1992, 121, 1-42.
11. (c) Shaw, M. J.; Geiger, W. E.; Hyde, J.; White, C. Organometallics 1998, 17, 5486-5494.
12. (d) Garcia, M. P.; Jimenez, M. V.; Lahoz, F. J.; Lopez, J. A.; Oro, L. A. J. Chem. Soc., Dalton Trans. 1998, 4211-4214.
13. (e) Paul, P.; Tyagi, B.; Bilakhiya, A. K.; Bhadbhade, M. M.; Suresh, E. J. Chem. Soc., Dalton Trans. 1999, 2009-2014.
14. (f) Connelly, N. G.; Emslie, D. J. H.; Geiger, W. E.; Hayward, O. D.; Linehan, E. B.; Orpen, A. G.; Quayle, M. J.; Rieger, P. H. J. Chem. Soc., Dalton Trans. 2001, 670-683.
15. (g) Willems, S. T. H.; Russcher, J. C.; Budzelar, P. H. M.; de Bruin, B.; de Gelder, R.; Smits, J. M. M.; Gal, A. W. Chem. Commun. 2002, 148-149.
16. (h) Dixon, F. M.; Masar, M. S., III; Doan, P. E.; Farrell, J. R.; Arnold, F. P., Jr.; Mirkin, C. A.; Incarvito, C. D.; Zakharov, L. N.; Rheingold, A. L. Inorg. Chem. 2003, 42, 3245-3255.
17. (i) Hetterscheid, D. G. H.; Smits, J. M. M.; de Bruin, B. Organometallics 2004, 23, 4236-4246.
18. Gerisch, M.; Krumper, J. R.; Bergman, R. G.; Tilley, D. T. Organometallics 2003, 22, 47-58.
19. Kaim, W.; Rheinhardt, R.; Greulich, S. Organometallics 2003, 22, 2240-2244.
20. iso values equal to 21.5 G and to g values equal to 2.0843 (Zn), 2.0850 (Na naphthalenide), and 2.0854 (K mirror).
21. The optimized frozen solution spectrum, calculated with the program mentioned in ref 16, is given as Supporting Information.
22. Pandey, K. K. Coord. Chem. Rev. 1992, 121, 1-42.
23. Figgis, B. N.; Hitchman, M. In Ligand Field Theory and its Applications; Wiley-VCH: New York, 2000.
24. || = 9 G) with the atomic coupling constants [Morton, J. R.; Preston, J. J. Magn. Reson. 1978, 30, 577] leads to a rough estimation of the Rh spin density, ρ ≈ 0.36, which reasonably agrees with the DFT results.
25. (a) Dunbar, K. R.; Haefner, S. C. Organometallics 1992, 11, 1431-1433.
26. (b) Dunbar, K. R.; Haefner, S. C.; Pence, L. E. J. Am. Chem. Soc. 1989, 111, 5504-5506.
27. Van Gaal, H. L. M.; Verlaak, J. M. J.; Posno, T. Inorg. Chim. Acta 1977, 23, 43-51.
28. Allen, E. A.; Wilkinson, W. J. Chem. Soc., Dalton Trans. 1972, 613-617.
29. Soulié, E.; Berclaz, T.; Geoffroy, M. In Computer and Chemistry, AIP Conference Proceedings 330, Nancy, France, May 1994; Bernardi, F., Rivail, J.-L., Eds.; 1996; pp 627-628.
30. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98; Gaussian, Inc.: Pittsburgh, PA, 1998.
31. (a) Stephens, P. J.; Delvin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623-11627.
32. (b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, B 37, 785-789.
33. Flukiger, P. Development of Molecular Graphics Package MOLEKEL. Ph.D. Thesis, University of Geneva, Geneva, Switzerland, 1992.
34. Altomare, A.; Burla, M. C.; Camalli, M.; Cascarano, G.; Giacovazzo, C.; Guagliardi, A.; Moliterni, A. G. G.; Polidori, G.; Spagna, R. S1R97, an integrated package of computer programs for the solution and refinement of crystal structures using single-crystal data.
35. Sheldrick, G. M. SHELXL-97; Universität Göttingen: Göttingen, Germany, 1997.
36. Farrugia, L. J. ORTEP-3; Department of Chemistry, University of Glasgow. Glasgow, current release 2003.