Skip to main content
SpringerLink
Log in

Analysis of the molecular conformation and rotational disorder in crystalline ferrocene and nickelocene

  • Published:
Journal of Crystallographic and Spectroscopic Research Aims and scope Submit manuscript

Abstract

Ferrocene and nickelocene have pseudo-isomorphous structures at room temperature but only ferrocene undergoes a second-order phase transformation on cooling. Calculation and analysis of appropriate lattice-energy surfaces as a function of concerted ring rotation showed that ferrocene has a disordered structure at room temperature different from nickelocene which exhibits a single minimum in the lattice-energy function. The results readily suggest a mechanism for the ferrocene phase transformation. The correct low-temperature structure is predicted only after taking intramolecular interactions into account.

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

  • Berar, J. F. Calvarin, G., Weigel, D., Chhor, K., and Pommier, C. 1980J. Chem. Phys. 73, 438.

    Google Scholar 

  • Boeyens, J. C. A., and Levendis, D. C. (1982)S. Afr. J. Chem. 35, 144.

    Google Scholar 

  • Boeyens, J. C. A., Neuse, E. W., and Levendis, D. C. (1982)S. Afr. J. Chem. 35, 57.

    Google Scholar 

  • Calvarin, G., Berar, J. F., and Clec'h, G. (1982a)J. Phys. Chem. Solids 43, 785.

    Google Scholar 

  • Calvarin, G., Clec'h, G., and Berar, J. F. (1982b)J. Phys. Chem. Solids 43, 791.

    Google Scholar 

  • Campbell, A. J., Fyfe, C. A., Harold-Smith, D., and Jeffrey, K. R. (1976)Mol. Cryst. Liq. Cryst. 36, 1.

    Google Scholar 

  • Carter, S., and Murrell, J. N. (1980)J. Organomet. Chem. 192, 399.

    Google Scholar 

  • Clec'h, G., and Calvarin, G. (1981)Mol. Cryst. Liq. Cryst. 75, 345.

    Google Scholar 

  • Edwards, J. W., Kington, G. L., and Mason, R. (1960)Trans. Faraday Soc. 56, 660.

    Google Scholar 

  • Haaland, A. (1979)Acc. Chem. Res. 12, 415.

    Google Scholar 

  • Haaland, A., and Nilsson, J. E. (1968)Acta. Chem. Scand. 22, 2653.

    Google Scholar 

  • Levendis, D. C., Boeyens, J. C. A., and Neuse, E. W. (1982)J. Crystollogr. Spectrosc. Res. 12, 493.

    Google Scholar 

  • Ogasahara, K., Sorai, M., and Suga, H. (1981)Mol. Cryst. Liq. Cryst. 71, 189.

    Google Scholar 

  • Seiler, P., and Dunitz, J. D. (1979a)Acta Crystallogr. B 35, 1068.

    Google Scholar 

  • Seiler, P., and Dunitz, J. D. (1979b)Acta Crystallogr. B 35, 2020.

    Google Scholar 

  • Seiler, P., and Dunitz, J. D. (1980)Acta Crystallogr. B 36, 2255.

    Google Scholar 

  • Seiler, P., and Dunitz, J. D. (1982)Acta Crystallogr. B 38, 1741.

    Google Scholar 

  • Takusagawa, F., and Koetzle, T. F. (1979)Acta Crystallogr. B 35, 1074.

    Google Scholar 

  • Willis, B. T. M. (1961) United Kingdom Atomic Energy Authority Research Report, AERE-R 3708.

Download references

Author information

Authors and Affiliations

  1. Department of Chemistry, University of the Witwatersrand, Johannesburg, South Africa

    Demetrius C. Levendis & Jan C. A. Boeyens

Authors
  1. Demetrius C. Levendis
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Jan C. A. Boeyens
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Levendis, D.C., Boeyens, J.C.A. Analysis of the molecular conformation and rotational disorder in crystalline ferrocene and nickelocene. Journal of Crystallographic and Spectroscopic Research 15, 1–17 (1985). https://doi.org/10.1007/BF01185712

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF01185712

Keywords

Search

Navigation