Skip to main content
SpringerLink
Log in

Tris(triphenylphosphine)rhodium cyano and triphenylcyanoborate complexes: Structures and a DFT study

  • Published:
Journal of Chemical Crystallography Aims and scope Submit manuscript

Abstract

The structures of [Rh(CN)(PPh3)3]⋅(EtOH) (1), [Rh(NCBPh3)(PPh3)3] (2), and [Rh(CNBPh3)(PPh3)3] (3) are reported together with a density functional theory (DFT) study of the model compounds [Rh(NCBH3)(PH3)3] and [Rh(CNBH3)(PH3)3]. Compound 1 crystallizes in space group Pc with a = 10.4798(15) Å, b = 12.5410(18) Å, c = 19.974(3) Å and β = 112.215(6)°; compound 2 crystallizes in space group \(P\bar 1\) with a = 12.929(2) Å, b = 14.362(2) Å, c = 17.575(3) Å and α = 92.544(3)°, β = 90.214(3)°, γ = 113.831(3)°; compound 3 crystallizes in space group \(P\bar 1\) with a = 12.915(2), b = 14.296(2), c = 17.664(3) Å and α = 92.469(3)°, β = 90.088(3)°, γ = 113.768(3)°. All three complexes show slight tetrahedral distortion from ideal square planar geometry (largest for 1). Differences in the reactivity and stability of 2 and 3 are interpreted according to the results of a density functional theory study.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Carlton, L.; Weber, R. Inorg. Chem. 1996, 35, 5843.

    Google Scholar 

  2. Jardine, F.H. Progr. Inorg. Chem. 1981, 28, 63.

    Google Scholar 

  3. Favero, G.; Rigo, P. Gazz. Chim. Ital. 1972, 102, 597.

    Google Scholar 

  4. Osborn, J.A.; Wilkinson, G. Inorg. Synth. 1967, 10, 67.

    Google Scholar 

  5. Bruker SAINT+, Version 6.02 (includesXPREPandSADABS); Bruker AXS Inc.: Madison, WI, 1999.

  6. Sheldrick, G.M. SADABS; University of Göttingen: Germany, 1996.

    Google Scholar 

  7. Bruker SHELXTL, Version 5.1 (includes XS, XL, XP, XSHELL); Bruker AXS Inc.: Madison, WI, 1999.

  8. Spek, A.L. Acta Crystallogr., Sect. A 1990, 46, C34.

    Google Scholar 

  9. SPARTAN, Version 4.0; Wavefunction Inc.: Irvine, CA, 1995.

  10. Trzeciak, A.M.; Ziolkowski, J.J.; Lis, T. Polyhedron 1989, 8, 2415.

    Google Scholar 

  11. Chatt, J.; Kan, C.T.; Leigh, G.J.; Pickett, C.J.; Stanley, D.R. J. Chem. Soc., Dalton Trans. 1980, 2032.

  12. Clegg, W.; Garner, C.D.; Heyworth, S. Acta Crystallogr., Sect. C 1989, 45, 1996.

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Johannesburg, Republic of South Africa

    Manuel A. Fernandes, Viorel Cîrcu, Rosemarie Weber & Laurence Carlton

  2. Bogaziçi University, F.E.F. Kimya, 80815, Bebek, Istanbul, Turkey

    Tereza Varnali

Authors
  1. Manuel A. Fernandes
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Viorel Cîrcu
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Rosemarie Weber
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Tereza Varnali
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. Laurence Carlton
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Laurence Carlton.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Fernandes, M.A., Cîrcu, V., Weber, R. et al. Tris(triphenylphosphine)rhodium cyano and triphenylcyanoborate complexes: Structures and a DFT study. Journal of Chemical Crystallography 32, 273–278 (2002). https://doi.org/10.1023/A:1020209324950

Download citation

  • Issue Date:

  • DOI: https://doi.org/10.1023/A:1020209324950

Search

Navigation