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Bond catastrophes in rhodium complexes : experimental charge-density studies of [Rh(C7H8)(PtBu3)Cl] and [Rh(C7H8)(PCy3)Cl]

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Sparkes, Hazel A., Chaplin, Adrian B., Weller, Andrew S. and Howard, J. A. K.. (2010) Bond catastrophes in rhodium complexes : experimental charge-density studies of [Rh(C7H8)(PtBu3)Cl] and [Rh(C7H8)(PCy3)Cl]. Acta Crystallographica. Section B: Structural Science, Vol.66 (No.5). pp. 503-514. ISSN 0108-7681

Full text not available from this repository.
Official URL: http://dx.doi.org/10.1107/S0108768110031496

Abstract

Rhodium complexes have potential uses in both catalysis and promoting the cleavage of C-C bonds. In order to further our understanding of these species and their potential applications, it is vital to obtain insight into the bonding within the species, particularly the Rh-C interactions, and to this end experimental charge-density studies have been undertaken on the title complexes. High-resolution single-crystal datasets to sin theta/lambda = 1.06 angstrom(-1) were obtained at 100 K and analysed using Bader's 'Atoms in Molecules' (AIM) approach. The results of the studies have provided unique insights into the bonding involving rhodium and highlight the importance of undertaking such investigations for transition metal compounds.

Item Type: Journal Article
Subjects: Q Science > QD Chemistry
Divisions: Faculty of Science > Chemistry
Library of Congress Subject Headings (LCSH): Rhodium, Catalysis, Transition metal complexes, Chemical bonds, Carbon
Journal or Publication Title: Acta Crystallographica. Section B: Structural Science
Publisher: Wiley-Blackwell Publishing, Inc.
ISSN: 0108-7681
Date: October 2010
Volume: Vol.66
Number: No.5
Page Range: pp. 503-514
Identification Number: 10.1107/S0108768110031496
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access
Funder: Engineering and Physical Sciences Research Council (EPSRC)
Grant number: EP/E048994/1 (EPSRC)
References: Abramov, Yu. A. (1997). Acta Cryst. A53, 264–272. Bader, R. F. W. (1990). Atoms in Molecules: A Quantum Theory. Oxford University Press. Bader, R. F. W. & Esse´ n, H. J. (1984). J. Chem. Phys. 80, 1943–1960. Blessing, R. H. (1997). J. Appl. Cryst. 30, 421–426. Brayshaw, S. K., Sceats, E. L., Green, J. C. & Weller, A. S. (2007). Proc. Natl. Acad. Sci. USA, 104, 6921–6926. Chatt, J. & Venanzi, L. M. (1957). J. Chem. Soc. pp. 4735–4741. Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887–897. Cremer, D. & Kraka, E. (1984). Angew. Chem. Int. Ed. 23, 627– 628. Eickerling, G., Mastalerz, R., Herz, V., Scherer, W., Himmel, H.-J. & Reiher, M. (2007). J. Chem. Theory Comput. 3, 2182–2197. Espinosa, E., Alkorta, I., Elguero, J. & Molins, E. (2002). J. Chem. Phys. 117, 5529–5542. Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837–838. Farrugia, L. J., Evans, C. & Tegel,M. (2006). J. Phys. Chem. 110, 7952– 7961. Gatti, C. & Lasi, D. (2007). Faraday Discuss. 135, 55–78. Gibbs, G. V., Spackman, M. A., Jayatilaka, D., Rosso, K. M. & Cox, D. F. (2006). J. Phys. Chem. A, 110, 12259–12266. Hansen, N. K. & Coppens, P. (1978). Acta Cryst. A34, 909–921. Hirshfeld, F. L. (1976). Acta Cryst. A32, 239–244. Jun, C. H. (2004). Chem. Soc. Rev. 33, 610–618. Macchi, P. & Coppens, P. (2001). Acta Cryst. A57, 656–662. Macchi, P., Prosperpio, D. M. & Sironi, A. (1998a). J. Am. Chem. Soc. 120, 13429–13435. Macchi, P., Proserpio, D. M. & Sironi, A. (1998b). J. Am. Chem. Soc. 120, 1447–1455. Overgaard, J., Clausen, H. F., Platts, J. A. & Iversen, B. B. (2008). J. Am. Chem. Soc. 130, 3834–3843. Overgaard, J., Jones, C., Stasch, A. & Iverson, B. B. (2009). J. Am. Chem. Soc. 131, 4208–4209. Overgaard, J., Turel, I. & Hibbs, D. E. (2007). Dalton Trans. pp. 2171– 2178. Oxford Diffraction (2007). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England. Reisinger, A., Trapp, N., Krossing, I., Altmannshofer, S., Herz, V., Presnitz, M. & Scherer,W. (2007). Angew. Chem. Int. Ed. 46, 8295– 8298. Rybtchinski, B. & Milstein, D. (1999). Angew. Chem. Int. Ed. 38, 870– 883. Scherer, W., Eickerling, G., Shorokhov, D., Gullo, E., McGrady, G. S. & Sirsch, P. (2006). New J. Chem. 30, 309–312. Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Sparkes, H. A., Brayshaw, S. K., Weller, A. S. & Howard, J. A. K. (2008). Acta Cryst. B64, 550–557. Su, Z. & Coppens, P. (1998). Acta Cryst. A54, 646–652. Volkov, A., Macchi, P., Farrugia, L. J., Gatti, C., Mallinson, P., Richter, T. & Koritsanszky, T. (2006). XD2006. University at Buffalo, State University of New York, NY, USA; University of Milano, Italy; University of Glasgow, UK; CNRISTM, Milano, Italy; Middle Tennessee State University, TN, USA.
URI: http://wrap.warwick.ac.uk/id/eprint/40513

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