Skip to main content
SpringerLink
Log in

f-Element/crown ether complexes: 21. Conformational changes in metal complexed versus hydrogen bonded benzo-15-crown-5 in the structure of [Y(OH2)3(NCMe)-(benzo-15-crown-5)][ClO4]3·benzo-15-crown-5·CH3CN

  • Published:
Journal of inclusion phenomena and molecular recognition in chemistry Aims and scope Submit manuscript

Abstract

Crystalline [Y(OH2)3(NCMe)(benzo-15-crown-5)][ClO4]3·benzo-15-crown-5-CH3CN can be obtained by slowly cooling a reaction mixture of Y(ClO4)3·n H2O with benzo-15-crown-5 in a solution of acetonitrile and methanol (3 : 1) from 60°C to room temperature. The crystal structure of this complex has been determined at −150 and 20°C. The complex is triclinic,P \(\bar 1\). At −150°C the cell parameters area = 11.986(4),b = 12.071(7),c = 16.364(5) Å, α = 93.56(3),β = 98.68(3),γ = 109.68(4)°, vol = 2187 Å3, andD calc = 1.61 g cm−3 forZ = 2 formula units. 3633 independently observed [F o ⩾ 5σ(F o)] reflections were used in the final least-squares refinement leading to an agreement index ofR = 0.048. The Y(III) ion coordination geometry approximates a tricapped trigonal prism with three water molecules and three benzo-15-crown-5 oxygen atoms forming the prism, with the two remaining benzo-15-crown-5 oxygen atoms and the acetonitrile molecule completing the coordination as capping atoms. The three water molecules hydrogen bond a second crown ether molecule and two of the perchlorate anions. The two acetonitrile molecules have contacts with perchlorate oxygen atoms close enough for some weak interaction. One perchlorate is ordered, one is partially disordered as is the coordinated solvent molecule, and the third anion is totally disordered. The two unique crown ether molecules have distinctively different conformations.

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. Part 20: R. D. Rogers, J. D. Royal, and D. M. Bolton:J. Cryst. Spec. Res., in press (1988).

  2. J. D. J. Backer-Dirks, J. E. Cooke, A. M. R. Galas, J. S. Ghotra, C. J. Gray, F. A. Hart, and M. B. Hursthouse:J. Chem. Soc., Dalton Trans., 2191 (1980).

  3. J.-C. G. Bunzli, B. Klein, and D. Wessner:Inorg. Chim. Acta 44, L147 (1980).

    Google Scholar 

  4. J.-C. G. Bunzli, B. Klein, and D. Wessner:Inorg. Chim. Acta 54, L43 (1981).

    Google Scholar 

  5. R. D. Rogers and L. K. Kurihara:Inorg. Chem. 26, 1498 (1987).

    Google Scholar 

  6. F. Forsellini, F. Benetollo, G. Bombieri, A. Cassol, and G. DePaoli:Inorg. Chim. Acta 109, 167 (1985).

    Google Scholar 

  7. R. D. Rogers and L. K. Kurihara:Inorg. Chem. 26, 2360 (1987).

    Google Scholar 

  8. R. D. Rogers:Inorg. Chim. Acta 133, 347 (1987).

    Google Scholar 

  9. T. J. Lee, H.-R. Shen, T. I. Chin, and C. T. Chang:Acta Cryst. C39, 1357 (1983).

    Google Scholar 

  10. D. Harrison, A. Giorgetti, and J.-C. G. Bunzli:J. Chem. Soc., Dalton Trans., 885 (1985).

  11. J.-C. G. Bunzli, B. Klein, G. Chapuis, and K. J. Schenk:Inorg. Chem. 21, 808 (1982).

    Google Scholar 

  12. D. A. Atwood, S. G. Bott, and J. L. Atwood:J. Coord. Chem., Section A 17, 93 (1987).

    Google Scholar 

  13. R. D. Rogers and L. K. Kurihara:Inorg. Chim. Acta 130, 131 (1987).

    Google Scholar 

  14. R. D. Rogers and L. K. Kurihara:Inorg. Chim. Acta 116, 171 (1986).

    Google Scholar 

  15. R. D. Rogers and L. K. Kurihara:Inorg. Chim. Acta 129, 277 (1987).

    Google Scholar 

  16. R. D. Rogers and L. K. Kurihara:J. Less Common Metals 127, 199 (1987).

    Google Scholar 

  17. R. D. Rogers and E. J. Voss,J. Coord. Chem., Sect. A,16, 405 (1988).

    Google Scholar 

  18. R. B. King and P. R. Heckley,J. Am. Chem. Soc. 96, 3118 (1974).

    Google Scholar 

  19. G. M. Sheldrick, ‘SHELX76’, a system of computer programs for X-ray structure determination, University of Cambridge, 1976 (as locally modified).

  20. International Tables for X-ray Crystallography, Vol. IV, Kynoch Press, Birmingham, 1972, distr. Kluwer Academic Publishers, Dordrecht, The Netherlands.

Download references

Author information

Authors and Affiliations

  1. Department of Chemistry, Northern Illinois University, 60115, DeKalb, IL, USA

    Robin D. Rogers

Authors
  1. Robin D. Rogers
    View author publications

    You can also search for this author in PubMed Google Scholar

Additional information

For Part 20, see reference [1].

Rights and permissions

Reprints and permissions

About this article

Cite this article

Rogers, R.D. f-Element/crown ether complexes: 21. Conformational changes in metal complexed versus hydrogen bonded benzo-15-crown-5 in the structure of [Y(OH2)3(NCMe)-(benzo-15-crown-5)][ClO4]3·benzo-15-crown-5·CH3CN. J Incl Phenom Macrocycl Chem 7, 277–287 (1989). https://doi.org/10.1007/BF01076980

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF01076980

Key words

Search

Navigation