Aggregation in solution of neutral half-sandwich Ru(II) precatalysts for transfer hydrogenation

New Journal of Chemistry

Volumn 29, Issue 3, 2005, Pages 430-433

  Zuccaccia, Daniele ^a   Clot, Eric ^b   Macchioni, Alceo ^a  

^a UNIVERSITY OF PERUGIA   (Italy)

^b CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

2 PROPANOL; DIMER; ETOMIDATE; RUTHENIUM COMPLEX; SOLVENT;

ARTICLE; CALCULATION; CATALYSIS; CHEMICAL REACTION KINETICS; HYDRODYNAMICS; HYDROGENATION; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; REACTION ANALYSIS;

EID: 15244338797     PISSN: 11440546     EISSN: None     Source Type: Journal    
DOI: 10.1039/b415560b     Document Type: Article

References (33)

1. (a) R. Noyori and S. Hashiguchi, Acc. Chem. Res., 1997, 30, 97;
2. (b) M. Yamakawa, H. Ito and R. Noyori, J. Am. Chem. Soc., 2000, 122, 1446;
3. (c) R. Noyori, M. Yamakawa and S. Hashiguchi, J. Org. Chem., 2001, 66, 7931.
4. (a) T. Ohta, S.-I. Nakahara, Y. Shigemura, K. Hattori and I. Furukawa, Chem. Lett., 1998, 6, 491;
5. (b) À. Kathó, D. Carmona, F. Viguri, C. D. Remacha, J. Kovács, F. Joó and L. A. Oro, J. Organomet. Chem., 2000, 593-594, 299.
6. G. Aullón; D. Bellamy, L. Brammer, E. A. Bruton and A. G. Orpen, Chem. Commun., 1998, 653.
7. L. C. Carter, D. L. Davies, K. T. Duffy, J. Fawcett and D. R. Russell, Acta Crystallogr., Sect. C, 1994, 50, 1559.
8. (a) H. Brunner, M. Weber, M. Zabel and T. Zwack, Angew. Chem., Int. Ed., 2003, 42, 1859;
9. (b) H. Brunner, M. Weber and M. Zabel, Coord. Chem. Rev., 2003, 242, 3.
10. D. Zuccaccia, S. Sabatini, G. Bellachioma, G. Cardaci, E. Clot and A. Macchioni, Inorg. Chem., 2003, 42, 5465.
11. G. Bellachioma, G. Cardaci, V. Gramlich, A. Macchioni and L. M. Venanzi, J. Chem. Soc., Dalton Trans., 1998, 947.
12. (a) C. S. Johnson, Jr., Prog. Nucl. Magn. Reson. Spectrosc., 1999, 34, 203;
13. (b) P. Stilbs, Prog. Nucl. Magn. Reson. Spectrosc., 1987, 19, 1.
14. (a) H.-C. Chen and S.-H. Chen, J. Phys. Chem., 1984, 88, 5118;
15. (b) P. J. Espinosa and J. G. de la Torre, J. Phys. Chem., 1987, 91, 3612.
16. Van der Waals volume and radius were calculated from the X-ray structure reported in: K.-J. Haack, S. Hashiguchi, A. Fujii, T. Ikariya and R. Noyori, Angew. Chem., Int. Ed., 1997, 36, 285.
17. The reduction of the stabilization energy results from the fact that all the H-bond donors and acceptors are available for electrostatic interactions with the solvent in the monomeric case while some of them are engaged in "intramolecular" interactions in the dimeric form. Consequently, the solvation energy for the dimer is lower than for the monomer and thus the stabilization energy is decreased.
18. (a) D. F. Dersnah and M. C. Baird, J. Organomet. Chem., 1977, 127, C55;
19. (b) R. Krämer, K. Polborn, H. Wanjek, I. Zahn and W. Beck, Chem. Ber., 1990, 123, 767;
20. (c) D. Carmona, A. Mendoza, F. J. Lahoz, L. A. Oro, M. P. Lamata and E. San José, J. Organomet. Chem., 1990, 396, C17.
21. (a) M. Valentini, H. Rüegger and P. S. Pregosin, Helv. Chim. Acta, 2001, 84, 2833;
22. (b) B. Binotti, A. Macchioni, C. Zuccaccia and D. Zuccaccia, Comments Inorg. Chem., 2002, 23, 417.
23. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J. J. Dannenberg, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle and J. A. Pople, GAUSSIAN 98 (Revision A.11), Gaussian, Inc., Pittsburgh, PA, 2001.
24. M. Svensson, S. Humbel, R. D. J. Froese, T. Matsubara, S. Sieber and K. Morokuma, J. Phys. Chem., 1996, 100, 19357.
25. A. D. Becke, J. Chem. Phys., 1993, 98, 5648.
26. J. P. Perdew and Y. Wang, Phys. Rev. B, 1992, 45, 13244.
27. D. Andrae, U. Häussermann, M. Dolg, H. Stoll and H. Preuß, Theor. Chim. Acta, 1990, 77, 123.
28. A. W. Ehlers, M. Böhme, S. Dapprich, A. Gobbi, A. Höllwarth, V. Jonas, K. F. Köhler, R. Stegmann, A. Veldkamp and G. Frenking, Chem. Phys. Lett., 1993, 208, 111.
29. A. Bergner, M. Dolg, W. Küchle, H. Stoll and H. Preuß, Mol. Phys., 1993, 30, 1431.
30. A. Höllwarth, H. Böhme, S. Dapprich, A. W. Ehlers, A. Gobbi, V. Jonas, K. F. Köhler, R. Stagmann, A. Veldkamp and G. Frenking, Chem. Phys. Lett., 1993, 203, 237.
31. P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1973, 28, 213.
32. A. K. Rappé, C. J. Casewitt, K. S. Colwell, W. A. Goddard and W. M. Skiff, J. Am. Chem. Soc., 1992, 114, 10024.
33. V. Barone and M. Cossi, J. Phys. Chem. A., 1998, 102, 1995.